![1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea structure](/static/products/4193/41935-22-2.webp)
1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea
TL;DR: 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea (CAS 41935-22-2) is a chemical compound with molecular formula C19H19N7O3 and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(2,4-diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea
Also Known As: 1-[[4-(2,4-diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea, N-{[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl}-N'-(3-nitrophenyl)urea
| Molecular Formula | C19H19N7O3 |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.15494 |
| Heavy Atoms | 29 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 41935-22-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | MDUQBJPVLBYWBL-UHFFFAOYSA-N |
Product Overview
1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea (CAS 41935-22-2), with molecular formula C19H19N7O3 and molecular weight 393.15 g/mol. IUPAC: 1-[[4-(2,4-diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea.
Chemical Property Profile of 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea
Property Insights of 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea. The TPSA of 165.0 Ų indicates high polarity, suggesting 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea has 4 hydrogen bond donor(s) and 7 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-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea?
The CAS number of 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea is 41935-22-2.
What is the molecular formula of 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea?
The molecular formula of 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea is C19H19N7O3.
What is the molecular weight of 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea?
The molecular weight of 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea is 393.15 g/mol.
Where can I buy 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea?
You can request a quote for 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[4-(2,4-Diamino-6-methylpyrimidin-5-yl)phenyl]methyl]-3-(3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.