![N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine structure](/static/products/956/956206-30-7.png)
N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
TL;DR: N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine (CAS 956206-30-7) is a chemical compound with molecular formula C21H30N6OS and molecular weight 414.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]-N',N'-dimethylpropane-1,3-diamine
Also Known As: N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine, N'-[2-(3,5-Dimethyl-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-y l]-N,N-dimethyl-propane-1,3-diamine, N1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N3,N3-dimethylpropane-1,3-diamine
| Molecular Formula | C21H30N6OS |
|---|---|
| Molecular Weight | 414.22 g/mol |
| LogP | 3.70874 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.22018 |
| Heavy Atoms | 29 |
| Complexity | 1035.6377 |
Chemical Identifiers
| CAS Number | 956206-30-7 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC(=C3C4=C(COC(C4)(C)C)SC3=N2)NCCCN(C)C)C |
Product Overview
N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine (CAS 956206-30-7), with molecular formula C21H30N6OS and molecular weight 414.22 g/mol. IUPAC: N-[5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]-N',N'-dimethylpropane-1,3-diamine.
Chemical Property Profile of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Property Insights of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
The XLogP value of 3.70874 indicates that N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine. Following Lipinski's Rule of Five, N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine?
The CAS number of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine is 956206-30-7.
What is the molecular formula of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine?
The molecular formula of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine is C21H30N6OS.
What is the molecular weight of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine?
The molecular weight of N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine is 414.22 g/mol.
Where can I buy N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine?
You can request a quote for N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.