3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine

C13H16N4 — CID 102984823

IUPAC3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine
SMILESCCc1cccc(C)c1Nc1nccnc1N
InChIInChI=1S/C13H16N4/c1-3-10-6-4-5-9(2)11(10)17-13-12(14)15-7-8-16-13/h4-8H,3H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeySVNNIAKCDVIHMB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.67
Rot. Bonds3

About 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine

3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine (PubChem CID 102984823) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine
PubChem CID102984823
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine
SMILESCCc1cccc(C)c1Nc1nccnc1N
InChIInChI=1S/C13H16N4/c1-3-10-6-4-5-9(2)11(10)17-13-12(14)15-7-8-16-13/h4-8H,3H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeySVNNIAKCDVIHMB-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
CID 107056671
2-N-(2,6-diethylphenyl)-3-methylpyridine-2,5-diamine
CID 82482312
N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695534
2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
CID 63513755
4-amino-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 62153378
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
CID 117027291
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2789700
3-(2-ethyl-6-methylanilino)pyridine-4-carbothioamide
CID 114288025

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine (CID 102984823) is 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine is CCc1cccc(C)c1Nc1nccnc1N.
What is the InChIKey of 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine?
The InChIKey is SVNNIAKCDVIHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-10-6-4-5-9(2)11(10)17-13-12(14)15-7-8-16-13/h4-8H,3H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine?
3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102984823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).