N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
TL;DR: N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine (CAS 450345-44-5) is a chemical compound with molecular formula C12H13N5O4 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine, N-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine, AB00668262-01, 4-N-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine, F0543-0143
| Molecular Formula | C12H13N5O4 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 1.7278 |
| Topological Polar Surface Area | 125.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09674 |
| Heavy Atoms | 21 |
| Complexity | 676.6925 |
Chemical Identifiers
| CAS Number | 450345-44-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N)OC |
Product Overview
N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine (CAS 450345-44-5), with molecular formula C12H13N5O4 and molecular weight 291.10 g/mol. IUPAC: 4-N-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Property Insights of N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 1.7278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine. The TPSA of 125.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 8 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 N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine is 450345-44-5.
What is the molecular formula of N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine is C12H13N5O4.
What is the molecular weight of N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine is 291.10 g/mol.
Where can I buy N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for N4-(3,4-dimethoxyphenyl)-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 N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.