5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine
TL;DR: 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine (CAS 450344-94-2) is a chemical compound with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
Also Known As: 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine, 5-nitro-N-(1-phenylethyl)pyrimidine-4,6-diamine, 5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine, AB00668222-01, F0543-0044
| Molecular Formula | C12H13N5O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 2.1401 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.10693 |
| Heavy Atoms | 19 |
| Complexity | 587.9285 |
Chemical Identifiers
| CAS Number | 450344-94-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine (CAS 450344-94-2), with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol. IUPAC: 5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.
Chemical Property Profile of 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine
Property Insights of 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine
The XLogP value of 2.1401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 5-nitro-N4-(1-phenylethyl)pyrimidine-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 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine?
The CAS number of 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine is 450344-94-2.
What is the molecular formula of 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine?
The molecular formula of 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine is C12H13N5O2.
What is the molecular weight of 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine?
The molecular weight of 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine is 259.11 g/mol.
Where can I buy 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine?
You can request a quote for 5-nitro-N4-(1-phenylethyl)pyrimidine-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 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.