N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺
TL;DR: N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 (CAS 501659-57-0) is a chemical compound with molecular formula C11H10FN5O and molecular weight 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺
N-(4,6-diaminopyrimidin-5-yl)-3-fluorobenzamide
Also Known As: Benzamide,N- -3-fluoro-, N-(4,6-diaminopyrimidin-5-yl)-3-fluorobenzamide, N-(4,6-Diamino-5-pyrimidinyl)-3-fluorobenzamide, 2-amino-6-methyl-5-phenethyl-1H-pyrimidin-4-one, BENZAMIDE, N-(4,6-DIAMINO-5-PYRIMIDINYL)-3-FLUORO-
| Molecular Formula | C11H10FN5O |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.08694 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 501659-57-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)NC2=C(N=CN=C2N)N |
| InChIKey | HKBRECJHGZYVLI-UHFFFAOYSA-N |
Product Overview
N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 (CAS 501659-57-0), with molecular formula C11H10FN5O and molecular weight 247.09 g/mol. IUPAC: N-(4,6-diaminopyrimidin-5-yl)-3-fluorobenzamide.
Chemical Property Profile of N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺
Property Insights of N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺. Following Lipinski's Rule of Five, N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 has 3 hydrogen bond donor(s) and 6 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-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺?
The CAS number of N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 is 501659-57-0.
What is the molecular formula of N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺?
The molecular formula of N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 is C11H10FN5O.
What is the molecular weight of N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺?
The molecular weight of N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 is 247.09 g/mol.
Where can I buy N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺?
You can request a quote for N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-二氨基嘧啶-5-基)-3-氟苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.