N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
TL;DR: N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine (CAS 145694-77-5) is a chemical compound with molecular formula C7H7ClFN3 and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-fluoro-N-prop-2-enylpyrimidin-4-amine
Also Known As: N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine, 2-chloro-5-fluoro-N-prop-2-enylpyrimidin-4-amine, N-allyl-2-chloro-5-fluoropyrimidin-4-amine, N-Allyl-2-chloro-5-fluoro-4-pyrimidinamine, 2-chloro-5-fluoro-N-(prop-2-en-1-yl)pyrimidin-4-amine
| Molecular Formula | C7H7ClFN3 |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 1.867 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.03125 |
| Heavy Atoms | 12 |
| Complexity | 289.98 |
Chemical Identifiers
| CAS Number | 145694-77-5 |
|---|---|
| SMILES | C=CCNC1=NC(=NC=C1F)Cl |
Product Overview
N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine (CAS 145694-77-5), with molecular formula C7H7ClFN3 and molecular weight 187.03 g/mol. IUPAC: 2-chloro-5-fluoro-N-prop-2-enylpyrimidin-4-amine.
Chemical Property Profile of N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
Property Insights of N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
The XLogP value of 1.867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine. With a topological polar surface area (TPSA) of 37.81 Ų, N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine has 1 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-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine?
The CAS number of N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine is 145694-77-5.
What is the molecular formula of N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine?
The molecular formula of N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine is C7H7ClFN3.
What is the molecular weight of N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine?
The molecular weight of N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine is 187.03 g/mol.
Where can I buy N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine?
You can request a quote for N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.