3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 175203-47-1) is a chemical compound with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonitrile
Also Known As: 3-benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, Maybridge1_004999, 5751AD, 3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonitrile, KM 07738
| Molecular Formula | C15H15N3O2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 1.51088 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.11642 |
| Heavy Atoms | 20 |
| Complexity | 764.4312 |
Chemical Identifiers
| CAS Number | 175203-47-1 |
|---|---|
| SMILES | CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C#N |
Product Overview
3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 175203-47-1), with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol. IUPAC: 3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonitrile.
Chemical Property Profile of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 1.51088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1-isopropyl-2,4-dioxo-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-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 3-Benzyl-1-isopropyl-2,4-dioxo-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-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 175203-47-1.
What is the molecular formula of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C15H15N3O2.
What is the molecular weight of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 269.12 g/mol.
Where can I buy 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 3-Benzyl-1-isopropyl-2,4-dioxo-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-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.