N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine
TL;DR: N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine (CAS 477863-87-9) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-phenyl-N-prop-2-enylpyrimidin-4-amine
Also Known As: N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine, 5-methoxy-2-phenyl-N-(prop-2-en-1-yl)pyrimidin-4-amine, 12P-518S, N-allyl-5-methoxy-2-phenylpyrimidin-4-amine, N-allyl-5-methoxy-2-phenyl-pyrimidin-4-amine
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 2.7501 |
| Topological Polar Surface Area | 47.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 525.81726 |
Chemical Identifiers
| CAS Number | 477863-87-9 |
|---|---|
| SMILES | COC1=CN=C(N=C1NCC=C)C2=CC=CC=C2 |
Product Overview
N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine (CAS 477863-87-9), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: 5-methoxy-2-phenyl-N-prop-2-enylpyrimidin-4-amine.
Chemical Property Profile of N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine
Property Insights of N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine
The XLogP value of 2.7501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine. With a topological polar surface area (TPSA) of 47.04 Ų, N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine has 1 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 N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine?
The CAS number of N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine is 477863-87-9.
What is the molecular formula of N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine?
The molecular formula of N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine is C14H15N3O.
What is the molecular weight of N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine?
The molecular weight of N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine is 241.12 g/mol.
Where can I buy N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine?
You can request a quote for N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-5-methoxy-2-phenyl-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.