3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine

C13H16N4 — CID 113228940

IUPAC3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
SMILESCN(CCc1ccccc1)c1nccnc1N
InChIInChI=1S/C13H16N4/c1-17(13-12(14)15-8-9-16-13)10-7-11-5-3-2-4-6-11/h2-6,8-9H,7,10H2,1H3,(H2,14,15)
InChIKeyHFYANYAYSNWVON-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.74
Rot. Bonds4

About 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine

3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine (PubChem CID 113228940) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
PubChem CID113228940
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
SMILESCN(CCc1ccccc1)c1nccnc1N
InChIInChI=1S/C13H16N4/c1-17(13-12(14)15-8-9-16-13)10-7-11-5-3-2-4-6-11/h2-6,8-9H,7,10H2,1H3,(H2,14,15)
InChIKeyHFYANYAYSNWVON-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[methyl(2-phenylethyl)amino]-3-pyridinyl]methanol
CID 65488591
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815
3-N-[3-(dimethylamino)propyl]-3-N-methylpyrazine-2,3-diamine
CID 102986569
[3-fluoro-2-[methyl(2-phenylethyl)amino]-4-pyridinyl]methanol
CID 105383104
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952
3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
CID 102985234
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 43587097
5-(aminomethyl)-N,3-dimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 80636098
3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 61373185

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine (CID 113228940) is 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine is CN(CCc1ccccc1)c1nccnc1N.
What is the InChIKey of 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine?
The InChIKey is HFYANYAYSNWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17(13-12(14)15-8-9-16-13)10-7-11-5-3-2-4-6-11/h2-6,8-9H,7,10H2,1H3,(H2,14,15).
What are the key properties of 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine?
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 113228940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).