6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine

C17H22N4 — CID 66456963

IUPAC6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine
SMILESCCN(c1cncc(CNC2CC2)n1)c1ccccc1C
InChIInChI=1S/C17H22N4/c1-3-21(16-7-5-4-6-13(16)2)17-12-18-10-15(20-17)11-19-14-8-9-14/h4-7,10,12,14,19H,3,8-9,11H2,1-2H3
InChIKeyGSKOXWKLDNWOHQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.20
Rot. Bonds6

About 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine

6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine (PubChem CID 66456963) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine
PubChem CID66456963
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine
SMILESCCN(c1cncc(CNC2CC2)n1)c1ccccc1C
InChIInChI=1S/C17H22N4/c1-3-21(16-7-5-4-6-13(16)2)17-12-18-10-15(20-17)11-19-14-8-9-14/h4-7,10,12,14,19H,3,8-9,11H2,1-2H3
InChIKeyGSKOXWKLDNWOHQ-UHFFFAOYSA-N
XLogP3.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine?
The IUPAC name of 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine (CID 66456963) is 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine is CCN(c1cncc(CNC2CC2)n1)c1ccccc1C.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine?
The InChIKey is GSKOXWKLDNWOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-21(16-7-5-4-6-13(16)2)17-12-18-10-15(20-17)11-19-14-8-9-14/h4-7,10,12,14,19H,3,8-9,11H2,1-2H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine?
6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylphenyl)pyrazin-2-amine is sourced from PubChem (CID 66456963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).