6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine
TL;DR: 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine (CAS 91241-38-2) is a chemical compound with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
Also Known As: 6-chloro-N4-(4-methoxyphenyl)pyrimidine-2,4-diamine, 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine, 6-chloro-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine, 1,3,5-Triazine-2,4-diamine,6-chloro-N2-cyclohexyl, 6-Chloro-N4-(4-methoxyphenyl)-2,4-pyrimidinediamine
| Molecular Formula | C11H11ClN4O |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.06213 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 91241-38-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=CC(=NC(=N2)N)Cl |
| InChIKey | BXMJFCPTYHVVNV-UHFFFAOYSA-N |
Product Overview
6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine (CAS 91241-38-2), with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol. IUPAC: 6-chloro-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
Chemical Property Profile of 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine
Property Insights of 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine. Following Lipinski's Rule of Five, 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine 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 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine?
The CAS number of 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine is 91241-38-2.
What is the molecular formula of 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine?
The molecular formula of 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine is C11H11ClN4O.
What is the molecular weight of 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine?
The molecular weight of 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine is 250.06 g/mol.
Where can I buy 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine?
You can request a quote for 6-chloro-N~4~-(4-methoxyphenyl)-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-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N~4~-(4-methoxyphenyl)-2,4-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.