3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 36980-88-8) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carbonitrile
Also Known As: Maybridge1_005051, 5-cyano-3-methyl-1-phenyluracil, 3-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carbonitrile, F2185-1646
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 0.40788 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 705.2562 |
Chemical Identifiers
| CAS Number | 36980-88-8 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C#N |
Product Overview
3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 36980-88-8), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 0.40788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-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 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 36980-88-8.
What is the molecular formula of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C12H9N3O2.
What is the molecular weight of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 227.07 g/mol.
Where can I buy 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.