![1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea structure](/static/products/4247/42471-43-2.webp)
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
TL;DR: 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea (CAS 42471-43-2) is a chemical compound with molecular formula C9H14ClN5O and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
Also Known As: 3-[ methyl]-1- urea, 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea, (R)-N-(tetrahydrofuran-3-yl)benzamide, 1-(2-chloroethyl)-3-(2-pyridylethyl)urea, 1-((4-Amino-2-methylpyrimidin-5-yl)methyl)-3-(2-chloroethyl)urea
| Molecular Formula | C9H14ClN5O |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.08868 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 42471-43-2 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CNC(=O)NCCCl |
| InChIKey | AKMQXFBFIPHWHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea (CAS 42471-43-2), with molecular formula C9H14ClN5O and molecular weight 243.09 g/mol. IUPAC: 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea.
Chemical Property Profile of 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
Property Insights of 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea. Following Lipinski's Rule of Five, 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea has 3 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 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea?
The CAS number of 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea is 42471-43-2.
What is the molecular formula of 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea?
The molecular formula of 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea is C9H14ClN5O.
What is the molecular weight of 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea?
The molecular weight of 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea is 243.09 g/mol.
Where can I buy 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea?
You can request a quote for 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)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-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.