N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (CAS 1001607-76-6) is a chemical compound with molecular formula C16H14N6O4 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
Also Known As: VU0499892-1, F2803-0166, N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2-(4-nitro-1H-pyrazol-1-yl)pyrimidin-4-amine, N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-methyl-2-(4-nitro-1H-pyrazol-1-yl)pyrimidin-4-amine
| Molecular Formula | C16H14N6O4 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 2.21972 |
| Topological Polar Surface Area | 117.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10767 |
| Heavy Atoms | 26 |
| Complexity | 986.62134 |
Chemical Identifiers
| CAS Number | 1001607-76-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (CAS 1001607-76-6), with molecular formula C16H14N6O4 and molecular weight 354.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
The XLogP value of 2.21972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine. The TPSA of 117.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine has 1 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 N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is 1001607-76-6.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is C16H14N6O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is 354.11 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.