1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one
TL;DR: 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one (CAS 152192-71-7) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one
Also Known As: 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one, 3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one, 3,4-dimethyl-5-nitro-6-phenyl-1,3,6-trihydropyrimidin-2-one, 1,6-dimethyl-5-nitro-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.8909 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 524.62897 |
Chemical Identifiers
| CAS Number | 152192-71-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one (CAS 152192-71-7), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one.
Chemical Property Profile of 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one
Property Insights of 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one
The XLogP value of 1.8909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one has 1 hydrogen bond donor(s) and 3 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 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one?
The CAS number of 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one is 152192-71-7.
What is the molecular formula of 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one?
The molecular formula of 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one is C12H13N3O3.
What is the molecular weight of 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one?
The molecular weight of 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one is 247.10 g/mol.
Where can I buy 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one?
You can request a quote for 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,6-dimethyl-5-nitro-4-phenyl-3,4-dihydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.