5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine
TL;DR: 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine (CAS 100115-58-0) is a chemical compound with molecular formula C12H13N5O2 and molecular weight 259.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
Also Known As: 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine, 5-nitro-N4-(2-phenylethyl)pyrimidine-4,6-diamine, 5-nitro-4-N-(2-phenylethyl)pyrimidine-4,6-diamine, 5-nitro-6-(phenethylamino)-4-pyrimidinamine, 5-Nitro-N-phenethyl-pyrimidine-4,6-diamine
Technical Specifications
| Molecular Formula | C12H13N5O2 |
| Molecular Weight | 259.10693 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.10693 Da |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
| SMILES | C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N |
| InChIKey | SIARGSJQSRUOFI-UHFFFAOYSA-N |
Chemical Property Profile of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine
Property Insights of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine
The XLogP value of 3.1 indicates that 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 5-nitro-N-(2-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
What is the CAS number of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The CAS number of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine is 100115-58-0.
What is the molecular formula of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The molecular formula of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine is C12H13N5O2.
What is the molecular weight of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The molecular weight of 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine is 259.10693 g/mol.
Where can I buy 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine?
You can request a quote for 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine?
Yes, CoreyChem provides custom synthesis services for 5-nitro-N-(2-phenylethyl)pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.