2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile
TL;DR: 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile (CAS 99973-69-0) is a chemical compound with molecular formula C11H8ClN5 and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diamino-6-(4-chlorophenyl)pyrimidine-5-carbonitrile
Also Known As: 2,4-diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile, 2,4-diamino-6-(4-chlorophenyl)pyrimidine-5-carbonitrile, 2,6-diamino-4-(4-chlorophenyl)pyrimidine-5-carbonitrile, S03-0338, 4-(4-Chlorophenyl)-2,6-diaminopyrimidine-5-carbonitrile
| Molecular Formula | C11H8ClN5 |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 1.83308 |
| Topological Polar Surface Area | 101.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.04683 |
| Heavy Atoms | 17 |
| Complexity | 600.49426 |
Chemical Identifiers
| CAS Number | 99973-69-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=NC(=N2)N)N)C#N)Cl |
Product Overview
2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile (CAS 99973-69-0), with molecular formula C11H8ClN5 and molecular weight 245.05 g/mol. IUPAC: 2,4-diamino-6-(4-chlorophenyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile
Property Insights of 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile
The XLogP value of 1.83308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile. The TPSA of 101.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile has 2 hydrogen bond donor(s) and 5 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 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile?
The CAS number of 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile is 99973-69-0.
What is the molecular formula of 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile?
The molecular formula of 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile is C11H8ClN5.
What is the molecular weight of 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile?
The molecular weight of 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile is 245.05 g/mol.
Where can I buy 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile?
You can request a quote for 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.