[6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine
TL;DR: [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine (CAS 674353-59-4) is a chemical compound with molecular formula C13H13FN6O2 and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3-fluorophenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine
Also Known As: N2-allyl-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine, [6-amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine, 4-N-(3-fluorophenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine, N4-(3-fluorophenyl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4,6-triamine, N~4~-(3-fluorophenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
| Molecular Formula | C13H13FN6O2 |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 2.4476 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.1084 |
| Heavy Atoms | 22 |
| Complexity | 721.67163 |
Chemical Identifiers
| CAS Number | 674353-59-4 |
|---|---|
| SMILES | C=CCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)F)[N+](=O)[O-])N |
Product Overview
[6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine (CAS 674353-59-4), with molecular formula C13H13FN6O2 and molecular weight 304.11 g/mol. IUPAC: 4-N-(3-fluorophenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine.
Chemical Property Profile of [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine
Property Insights of [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine
The XLogP value of 2.4476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine. Following Lipinski's Rule of Five, [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine has 3 hydrogen bond donor(s) and 7 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-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine?
The CAS number of [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine is 674353-59-4.
What is the molecular formula of [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine?
The molecular formula of [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine is C13H13FN6O2.
What is the molecular weight of [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine?
The molecular weight of [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine is 304.11 g/mol.
Where can I buy [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine?
You can request a quote for [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine?
Yes, KEHONG BIO provides custom synthesis services for [6-Amino-5-nitro-2-(prop-2-enylamino)pyrimidin-4-yl](3-fluorophenyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.