6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine
TL;DR: 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine (CAS 6965-45-3) is a chemical compound with molecular formula C11H11ClN4 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
Also Known As: 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine, 6-chloro-n4-methyl-n4-phenylpyrimidine-2,4-diamine, 6-chloro-N4-methyl-N4-phenyl-pyrimidine-2,4-diamine, 6-chloro-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine, 6-Chloro-2-imino-N-methyl-N-phenyl-1,2-dihydropyrimidin-4-amine
| Molecular Formula | C11H11ClN4 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.06723 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 6965-45-3 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=CC(=NC(=N2)N)Cl |
| InChIKey | DKWQGENYTFFROV-UHFFFAOYSA-N |
Product Overview
6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine (CAS 6965-45-3), with molecular formula C11H11ClN4 and molecular weight 234.07 g/mol. IUPAC: 6-chloro-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
Chemical Property Profile of 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine
Property Insights of 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine. With a topological polar surface area (TPSA) of 55.0 Ų, 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine 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 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine?
The CAS number of 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine is 6965-45-3.
What is the molecular formula of 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine?
The molecular formula of 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine is C11H11ClN4.
What is the molecular weight of 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine?
The molecular weight of 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine is 234.07 g/mol.
Where can I buy 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine?
You can request a quote for 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-N4-methyl-N4-phenyl-2,4-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.