2-Acetoacetamido-4-methylpyrimidine
TL;DR: 2-Acetoacetamido-4-methylpyrimidine (CAS 713-70-2) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylpyrimidin-2-yl)-3-oxobutanamide
Also Known As: N-(4-methylpyrimidin-2-yl)-3-oxobutanamide, 2-Acetoacetamido-4-Methylpyrimidine, N-(4-Methyl-2-pyrimidinyl)acetoacetamide, N-(4-Methyl-2-pyrimidinyl)-3-oxobutanamide, J1.402.366F
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 713-70-2 |
|---|---|
| SMILES | CC1=NC(=NC=C1)NC(=O)CC(=O)C |
| InChIKey | ZRPIIQFTZUBLHR-UHFFFAOYSA-N |
Product Overview
2-Acetoacetamido-4-methylpyrimidine (CAS 713-70-2), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: N-(4-methylpyrimidin-2-yl)-3-oxobutanamide.
Chemical Property Profile of 2-Acetoacetamido-4-methylpyrimidine
Property Insights of 2-Acetoacetamido-4-methylpyrimidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetoacetamido-4-methylpyrimidine. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetoacetamido-4-methylpyrimidine. Following Lipinski's Rule of Five, 2-Acetoacetamido-4-methylpyrimidine 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 2-Acetoacetamido-4-methylpyrimidine?
The CAS number of 2-Acetoacetamido-4-methylpyrimidine is 713-70-2.
What is the molecular formula of 2-Acetoacetamido-4-methylpyrimidine?
The molecular formula of 2-Acetoacetamido-4-methylpyrimidine is C9H11N3O2.
What is the molecular weight of 2-Acetoacetamido-4-methylpyrimidine?
The molecular weight of 2-Acetoacetamido-4-methylpyrimidine is 193.09 g/mol.
Where can I buy 2-Acetoacetamido-4-methylpyrimidine?
You can request a quote for 2-Acetoacetamido-4-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoacetamido-4-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoacetamido-4-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.