![7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine structure](/static/products/903/903591-12-8.png)
7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
TL;DR: 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine (CAS 903591-12-8) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-imine
Also Known As: 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine, 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-imine, 7-benzyl-5,6-dimethyl-3-(thiazol-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-imine
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 3.42811 |
| Topological Polar Surface Area | 59.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 1058.4338 |
Chemical Identifiers
| CAS Number | 903591-12-8 |
|---|---|
| SMILES | CC1=C(N(C2=C1C(=N)N(C=N2)C3=NC=CS3)CC4=CC=CC=C4)C |
Product Overview
7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine (CAS 903591-12-8), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-imine.
Chemical Property Profile of 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
Property Insights of 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
The XLogP value of 3.42811 indicates that 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.49 Ų, 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine has 1 hydrogen bond donor(s) and 4 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 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine?
The CAS number of 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine is 903591-12-8.
What is the molecular formula of 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine?
The molecular formula of 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine is C18H17N5S.
What is the molecular weight of 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine?
The molecular weight of 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine is 335.12 g/mol.
Where can I buy 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine?
You can request a quote for 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-5,6-dimethyl-3-(1,3-thiazol-2-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.