1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile
TL;DR: 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile (CAS 133181-44-9) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile
Also Known As: 5-cyano-3,6-dimethyl-1-(1-methylethyl)pyrimidine-2,4-dione, 1,4-dimethyl-2,6-dioxo-3-propan-2-yl-pyrimidine-5-carbonitrile, 1-(1-Methylethyl)-2,4-dioxo-3,6-dimethyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 3,6-dimethyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 0.308 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.10077 |
| Heavy Atoms | 15 |
| Complexity | 543.5018 |
Chemical Identifiers
| CAS Number | 133181-44-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1C(C)C)C)C#N |
Product Overview
1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile (CAS 133181-44-9), with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol. IUPAC: 1,4-dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile.
Chemical Property Profile of 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile
Property Insights of 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile
The XLogP value of 0.308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 3 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 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile?
The CAS number of 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile is 133181-44-9.
What is the molecular formula of 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile?
The molecular formula of 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile is C10H13N3O2.
What is the molecular weight of 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile?
The molecular weight of 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile is 207.10 g/mol.
Where can I buy 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile?
You can request a quote for 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-2,6-dioxo-3-propan-2-ylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.