Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-
TL;DR: Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- (CAS 73840-54-7) 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.
6-chloro-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
Also Known As: Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-, 6-Chloro-5-amino-4-(2-phenylethylamino)pyrimidine, N-Phenethyl-6-chloropyrimidine-4,5-diamine, 4, 6-chloro-N4-(2-phenylethyl)-, 6-chloro-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
| Molecular Formula | C12H13ClN4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.08287 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 73840-54-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)Cl)N |
| InChIKey | WPZRECFJUHBCHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- (CAS 73840-54-7), with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol. IUPAC: 6-chloro-4-N-(2-phenylethyl)pyrimidine-4,5-diamine.
Chemical Property Profile of Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-
Property Insights of Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-. Following Lipinski's Rule of Five, Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- 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 Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-?
The CAS number of Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- is 73840-54-7.
What is the molecular formula of Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-?
The molecular formula of Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- is C12H13ClN4.
What is the molecular weight of Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-?
The molecular weight of Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- is 248.08 g/mol.
Where can I buy Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-?
You can request a quote for Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.