2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine

C13H16N4 — CID 80652605

IUPAC2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine
SMILESCc1ccc(C(C)Nc2cnc(N)cn2)cc1
InChIInChI=1S/C13H16N4/c1-9-3-5-11(6-4-9)10(2)17-13-8-15-12(14)7-16-13/h3-8,10H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyWHLHPMIQEIQPGR-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.54
Rot. Bonds3

About 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine

2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine (PubChem CID 80652605) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine
PubChem CID80652605
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine
SMILESCc1ccc(C(C)Nc2cnc(N)cn2)cc1
InChIInChI=1S/C13H16N4/c1-9-3-5-11(6-4-9)10(2)17-13-8-15-12(14)7-16-13/h3-8,10H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyWHLHPMIQEIQPGR-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine (CID 80652605) is 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine is Cc1ccc(C(C)Nc2cnc(N)cn2)cc1.
What is the InChIKey of 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine?
The InChIKey is WHLHPMIQEIQPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-3-5-11(6-4-9)10(2)17-13-8-15-12(14)7-16-13/h3-8,10H,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine?
2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80652605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).