Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-
TL;DR: Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- (CAS 128072-67-3) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone
Also Known As: 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone, dibromo-2,4 methyl-3 pyridine, BAS 01921075, Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-, 5-acetyl-4-amino-6-methyl-2phenylpyrimidine
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 128072-67-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)C2=CC=CC=C2)N)C(=O)C |
| InChIKey | SSCOMJFZOSOOKU-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- (CAS 128072-67-3), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-
Property Insights of Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- 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 Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-?
The CAS number of Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- is 128072-67-3.
What is the molecular formula of Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-?
The molecular formula of Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- is C13H13N3O.
What is the molecular weight of Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-?
The molecular weight of Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- is 227.11 g/mol.
Where can I buy Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-?
You can request a quote for Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.