1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one
TL;DR: 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one (CAS 67405-28-1) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one
Also Known As: 1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one, (4E)-1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 67405-28-1 |
|---|---|
| SMILES | CN1C=CC(=C[N+](=O)[O-])N(C1=O)C |
| InChIKey | GPSMMSVKLWJPLW-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one (CAS 67405-28-1), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one.
Chemical Property Profile of 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one
Property Insights of 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one
The XLogP value of -0.2 indicates that 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one. Following Lipinski's Rule of Five, 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one has 0 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 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one?
The CAS number of 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one is 67405-28-1.
What is the molecular formula of 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one?
The molecular formula of 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one is C7H9N3O3.
What is the molecular weight of 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one?
The molecular weight of 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one is 183.06 g/mol.
Where can I buy 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one?
You can request a quote for 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-4-(nitromethylidene)pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.