5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
TL;DR: 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine (CAS 76299-63-3) is a chemical compound with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
Also Known As: 2,4-Diamino-5-p-chlorobenzyl-6-methyl pyrimidine, 2,4-Diamino-5-(p-chlorobenzyl)-6-methylpyrimidine, 5-(4-chlorobenzyl)-6-methylpyrimidine-2,4-diamine, 5-(p-Chlorobenzyl)-2,4-diamino-6-methylpyrimidine, Pyrimidine, 2,4-diamino-5-(p-chlorobenzyl)-6-methyl-
| Molecular Formula | C12H13ClN4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.08287 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 76299-63-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)N)CC2=CC=C(C=C2)Cl |
| InChIKey | LXNGLGDIPZGTHE-UHFFFAOYSA-N |
Product Overview
5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine (CAS 76299-63-3), with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
Chemical Property Profile of 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
Property Insights of 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine. Following Lipinski's Rule of Five, 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine has 2 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 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine?
The CAS number of 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine is 76299-63-3.
What is the molecular formula of 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine?
The molecular formula of 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine is C12H13ClN4.
What is the molecular weight of 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine?
The molecular weight of 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine is 248.08 g/mol.
Where can I buy 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine?
You can request a quote for 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.