2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 714945-57-0) is a chemical compound with molecular formula C18H17ClN6O4 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: AO-022/43453072, 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine, N~2~-(3-chlorophenyl)-N~4~-(2,5-dimethoxyphenyl)-5-nitro-2,4,6-pyrimidinetriamine, N2-(3-CHLOROPHENYL)-N4-(2,5-DIMETHOXYPHENYL)-5-NITROPYRIMIDINE-2,4,6-TRIAMINE, (2Z)-2-[(3-chlorophenyl)imino]-N~6~-(2,5-dimethoxyphenyl)-5-nitro-1,2-dihydropyrimidine-4,6-diamine
| Molecular Formula | C18H17ClN6O4 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 4.1248 |
| Topological Polar Surface Area | 137.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.09998 |
| Heavy Atoms | 29 |
| Complexity | 1062.5165 |
Chemical Identifiers
| CAS Number | 714945-57-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)Cl |
Product Overview
2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 714945-57-0), with molecular formula C18H17ClN6O4 and molecular weight 416.10 g/mol. IUPAC: 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 4.1248 indicates that 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 9 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 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is 714945-57-0.
What is the molecular formula of 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is C18H17ClN6O4.
What is the molecular weight of 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is 416.10 g/mol.
Where can I buy 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 2-N-(3-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.