3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine

C13H16N4 — CID 103634007

IUPAC3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine
SMILESCCc1ccc(CNc2nccnc2N)cc1
InChIInChI=1S/C13H16N4/c1-2-10-3-5-11(6-4-10)9-17-13-12(14)15-7-8-16-13/h3-8H,2,9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyMSPXWOXAORSTRP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.23
Rot. Bonds4

About 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine

3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine (PubChem CID 103634007) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine
PubChem CID103634007
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine
SMILESCCc1ccc(CNc2nccnc2N)cc1
InChIInChI=1S/C13H16N4/c1-2-10-3-5-11(6-4-10)9-17-13-12(14)15-7-8-16-13/h3-8H,2,9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyMSPXWOXAORSTRP-UHFFFAOYSA-N
XLogP2.23
TPSA63.83 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-aminopyrazin-2-yl)amino]methyl]benzonitrile
CID 113228938
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106900943
3-N-(1H-pyrazol-4-ylmethyl)pyrazine-2,3-diamine
CID 102983865
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
N-[(4-ethylphenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106900068
3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine
CID 106424136
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine (CID 103634007) is 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine is CCc1ccc(CNc2nccnc2N)cc1.
What is the InChIKey of 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine?
The InChIKey is MSPXWOXAORSTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-10-3-5-11(6-4-10)9-17-13-12(14)15-7-8-16-13/h3-8H,2,9H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine?
3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 103634007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).