5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine

C17H22N4 — CID 107379665

IUPAC5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine
SMILESCc1ccc(N(C)c2cnc(CNC3CC3)cn2)c(C)c1
InChIInChI=1S/C17H22N4/c1-12-4-7-16(13(2)8-12)21(3)17-11-19-15(10-20-17)9-18-14-5-6-14/h4,7-8,10-11,14,18H,5-6,9H2,1-3H3
InChIKeyNABHOXWCMAQBET-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.11
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine

5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine (PubChem CID 107379665) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine
PubChem CID107379665
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine
SMILESCc1ccc(N(C)c2cnc(CNC3CC3)cn2)c(C)c1
InChIInChI=1S/C17H22N4/c1-12-4-7-16(13(2)8-12)21(3)17-11-19-15(10-20-17)9-18-14-5-6-14/h4,7-8,10-11,14,18H,5-6,9H2,1-3H3
InChIKeyNABHOXWCMAQBET-UHFFFAOYSA-N
XLogP3.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 62293980
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyrazin-2-amine
CID 107379625
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
5-[(cyclopropylamino)methyl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380594
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 107379846
2-N-(2,4-dimethylphenyl)-2-N-methylpyridine-2,5-diamine
CID 18419485
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 107379575
5-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379171
5-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380745

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine (CID 107379665) is 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine is Cc1ccc(N(C)c2cnc(CNC3CC3)cn2)c(C)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine?
The InChIKey is NABHOXWCMAQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-4-7-16(13(2)8-12)21(3)17-11-19-15(10-20-17)9-18-14-5-6-14/h4,7-8,10-11,14,18H,5-6,9H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine?
5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 107379665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).