(4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide
TL;DR: (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide (CAS 524057-38-3) is a chemical compound with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dimethylpyrimidin-2-yl)-[(3-nitrophenyl)methyl]cyanamide
Also Known As: CBKinase1_003279, CBKinase1_015679, (4,6-dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide, (4,6-dimethyl-2-pyrimidinyl)(3-nitrobenzyl)cyanamide, BRD-K40299887-001-01-1
| Molecular Formula | C14H13N5O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.48932 |
| Topological Polar Surface Area | 95.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.10693 |
| Heavy Atoms | 21 |
| Complexity | 703.29456 |
Chemical Identifiers
| CAS Number | 524057-38-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N(CC2=CC(=CC=C2)[N+](=O)[O-])C#N)C |
Product Overview
(4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide (CAS 524057-38-3), with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol. IUPAC: (4,6-dimethylpyrimidin-2-yl)-[(3-nitrophenyl)methyl]cyanamide.
Chemical Property Profile of (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide
Property Insights of (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide
The XLogP value of 2.48932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide. The TPSA of 95.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide. Following Lipinski's Rule of Five, (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide has 0 hydrogen bond donor(s) and 6 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 (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide?
The CAS number of (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide is 524057-38-3.
What is the molecular formula of (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide?
The molecular formula of (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide is C14H13N5O2.
What is the molecular weight of (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide?
The molecular weight of (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide is 283.11 g/mol.
Where can I buy (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide?
You can request a quote for (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide?
Yes, KEHONG BIO provides custom synthesis services for (4,6-Dimethylpyrimidin-2-yl)(3-nitrobenzyl)cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.