3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile
TL;DR: 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile (CAS 374106-33-9) is a chemical compound with molecular formula C7H7FN4O and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanenitrile
Also Known As: TimTec1_002588, 1-Propionitrile-5-fluorocytosine AldrichCPR, 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile, 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanenitrile, 3-(4-amino-5-fluoro-2-oxohydropyrimidinyl)propanenitrile
| Molecular Formula | C7H7FN4O |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | -0.12172 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0604 |
| Heavy Atoms | 13 |
| Complexity | 405.93405 |
Chemical Identifiers
| CAS Number | 374106-33-9 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1CCC#N)N)F |
Product Overview
3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile (CAS 374106-33-9), with molecular formula C7H7FN4O and molecular weight 182.06 g/mol. IUPAC: 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanenitrile.
Chemical Property Profile of 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile
Property Insights of 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile
The XLogP value of -0.12172 indicates that 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile 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 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile?
The CAS number of 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile is 374106-33-9.
What is the molecular formula of 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile?
The molecular formula of 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile is C7H7FN4O.
What is the molecular weight of 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile?
The molecular weight of 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile is 182.06 g/mol.
Where can I buy 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile?
You can request a quote for 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.