N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine
TL;DR: N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine (CAS 55474-82-3) is a chemical compound with molecular formula C15H19N5 and molecular weight 269.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
Also Known As: NCIOpen2_003969, N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine, 2-(4-Chlorophenyl)-3-oxovaleronitrile, 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine, J3.319.676H
| Molecular Formula | C15H19N5 |
|---|---|
| Molecular Weight | 269.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.16403 |
| Heavy Atoms | 20 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 55474-82-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)N)C |
| InChIKey | FVBRWQIUJUHLKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine (CAS 55474-82-3), with molecular formula C15H19N5 and molecular weight 269.16 g/mol. IUPAC: 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine.
Chemical Property Profile of N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine
Property Insights of N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine. Following Lipinski's Rule of Five, N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine has 2 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 N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine?
The CAS number of N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine is 55474-82-3.
What is the molecular formula of N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine?
The molecular formula of N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine is C15H19N5.
What is the molecular weight of N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine?
The molecular weight of N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine is 269.16 g/mol.
Where can I buy N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine?
You can request a quote for N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.