6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
TL;DR: 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine (CAS 99846-86-3) is a chemical compound with molecular formula C9H8ClN3O and molecular weight 209.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
Also Known As: 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine, N-(6-CHLORO-4-PYRIMIDINYL)-N-(2-FURYLMETHYL)AMINE, 6-Chloro-4-(furfurylamino)pyrimidine, 4727AF, BB 0257210
| Molecular Formula | C9H8ClN3O |
|---|---|
| Molecular Weight | 209.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.03558 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 99846-86-3 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=CC(=NC=N2)Cl |
| InChIKey | STRGJGAQEVTISA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine (CAS 99846-86-3), with molecular formula C9H8ClN3O and molecular weight 209.04 g/mol. IUPAC: 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine.
Chemical Property Profile of 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
Property Insights of 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine. With a topological polar surface area (TPSA) of 51.0 Ų, 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine 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 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The CAS number of 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine is 99846-86-3.
What is the molecular formula of 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The molecular formula of 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine is C9H8ClN3O.
What is the molecular weight of 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The molecular weight of 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine is 209.04 g/mol.
Where can I buy 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
You can request a quote for 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.