Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-
TL;DR: Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- (CAS 55477-34-4) is a chemical compound with molecular formula C12H18ClN5O and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]acetamide
Also Known As: 5-25-12-00131 (Beilstein Handbook Reference), Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-, 2-Acetylamino-4-(N-methylpiperazino)-5-methyl-6-chloropyrimidine, n-[4-chloro-6-5-methylpyrimidin-2-yl]acetamide, N-[4-Chloro-6- -5-methylpyrimidin-2-yl]acetamide
| Molecular Formula | C12H18ClN5O |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.12 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 55477-34-4 |
|---|---|
| SMILES | CC1=C(N=C(N=C1Cl)NC(=O)C)N2CCN(CC2)C |
| InChIKey | PPXIIWYEVFSUCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- (CAS 55477-34-4), with molecular formula C12H18ClN5O and molecular weight 283.12 g/mol. IUPAC: N-[4-chloro-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]acetamide.
Chemical Property Profile of Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-
Property Insights of Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-. Following Lipinski's Rule of Five, Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- has 1 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 Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-?
The CAS number of Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- is 55477-34-4.
What is the molecular formula of Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-?
The molecular formula of Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- is C12H18ClN5O.
What is the molecular weight of Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-?
The molecular weight of Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- is 283.12 g/mol.
Where can I buy Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-?
You can request a quote for Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-acetylamino-4-chloro-6-(4-methylpiperazino)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.