4-N-butyl-5-nitropyrimidine-4,6-diamine
TL;DR: 4-N-butyl-5-nitropyrimidine-4,6-diamine (CAS 90641-93-3) is a chemical compound with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-butyl-5-nitropyrimidine-4,6-diamine
Also Known As: N-butyl-5-nitropyrimidine-4,6-diamine, N4-butyl-5-nitropyrimidine-4,6-diamine, N-Butyl-5-nitro-pyrimidine-4,6-diamine, 4-N-butyl-5-nitropyrimidine-4,6-diamine, 6-(Butylimino)-5-nitro-1,6-dihydropyrimidin-4-amine
| Molecular Formula | C8H13N5O2 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 1.179 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.10692 |
| Heavy Atoms | 15 |
| Complexity | 354.8853 |
Chemical Identifiers
| CAS Number | 90641-93-3 |
|---|---|
| SMILES | CCCCNC1=NC=NC(=C1[N+](=O)[O-])N |
Product Overview
4-N-butyl-5-nitropyrimidine-4,6-diamine (CAS 90641-93-3), with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol. IUPAC: 4-N-butyl-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of 4-N-butyl-5-nitropyrimidine-4,6-diamine
Property Insights of 4-N-butyl-5-nitropyrimidine-4,6-diamine
The XLogP value of 1.179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-butyl-5-nitropyrimidine-4,6-diamine. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-butyl-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 4-N-butyl-5-nitropyrimidine-4,6-diamine has 2 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 4-N-butyl-5-nitropyrimidine-4,6-diamine?
The CAS number of 4-N-butyl-5-nitropyrimidine-4,6-diamine is 90641-93-3.
What is the molecular formula of 4-N-butyl-5-nitropyrimidine-4,6-diamine?
The molecular formula of 4-N-butyl-5-nitropyrimidine-4,6-diamine is C8H13N5O2.
What is the molecular weight of 4-N-butyl-5-nitropyrimidine-4,6-diamine?
The molecular weight of 4-N-butyl-5-nitropyrimidine-4,6-diamine is 211.11 g/mol.
Where can I buy 4-N-butyl-5-nitropyrimidine-4,6-diamine?
You can request a quote for 4-N-butyl-5-nitropyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-butyl-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-butyl-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.