N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine
TL;DR: N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine (CAS 450345-68-3) is a chemical compound with molecular formula C14H17N5O2 and molecular weight 287.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
Also Known As: AB00355716-02, N4-benzyl-5-nitro-N4-(propan-2-yl)pyrimidine-4,6-diamine, N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine, F0543-0209, N-benzyl-5-nitro-N-(propan-2-yl)pyrimidine-4,6-diamine
| Molecular Formula | C14H17N5O2 |
|---|---|
| Molecular Weight | 287.14 g/mol |
| LogP | 2.382 |
| Topological Polar Surface Area | 98.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.1382 |
| Heavy Atoms | 21 |
| Complexity | 630.5164 |
Chemical Identifiers
| CAS Number | 450345-68-3 |
|---|---|
| SMILES | CC(C)N(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine (CAS 450345-68-3), with molecular formula C14H17N5O2 and molecular weight 287.14 g/mol. IUPAC: 4-N-benzyl-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine.
Chemical Property Profile of N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine
Property Insights of N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine
The XLogP value of 2.382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine. The TPSA of 98.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine has 1 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 N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine?
The CAS number of N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine is 450345-68-3.
What is the molecular formula of N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine?
The molecular formula of N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine is C14H17N5O2.
What is the molecular weight of N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine?
The molecular weight of N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine is 287.14 g/mol.
Where can I buy N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine?
You can request a quote for N4-benzyl-N4-isopropyl-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-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N4-benzyl-N4-isopropyl-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.