6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine

C13H16N4 — CID 80761835

IUPAC6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4/c1-3-15-12-8-14-9-13(17-12)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,15,16,17)
InChIKeyROHSYWYHHZLQSW-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.96
Rot. Bonds4

About 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine

6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine (PubChem CID 80761835) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
PubChem CID80761835
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4/c1-3-15-12-8-14-9-13(17-12)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,15,16,17)
InChIKeyROHSYWYHHZLQSW-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
CID 114258187
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
CID 80768969
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80755020
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine (CID 80761835) is 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine is CCNc1cncc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine?
The InChIKey is ROHSYWYHHZLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-15-12-8-14-9-13(17-12)16-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine?
6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80761835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).