1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

C13H17N5 — CID 102612485

IUPAC1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CNC(C)c2nccnc2C)n1
InChIInChI=1S/C13H17N5/c1-9-13(16-7-6-14-9)10(2)17-8-12-4-5-15-11(3)18-12/h4-7,10,17H,8H2,1-3H3
InChIKeyPJQQWGPROFAHBY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.73
Rot. Bonds4

About 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 102612485) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
PubChem CID102612485
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CNC(C)c2nccnc2C)n1
InChIInChI=1S/C13H17N5/c1-9-13(16-7-6-14-9)10(2)17-8-12-4-5-15-11(3)18-12/h4-7,10,17H,8H2,1-3H3
InChIKeyPJQQWGPROFAHBY-UHFFFAOYSA-N
XLogP1.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 155524115
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681476
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 5159263
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817569
4-methyl-N-(pyridin-3-yl)pyrimidin-2-amine
CID 51361044
4-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 18364978
N~2~,N~2~,5,6-tetramethyl-N~4~-[2-(2-pyrazinyl)ethyl]-2,4-pyrimidinediamine
CID 39752283
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
2-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-5-propylpyrimidin-4-amine
CID 50951797
N~4~,N~4~,5-trimethyl-N~2~-(1-methyl-2-pyrazin-2-ylethyl)pyrimidine-2,4-diamine
CID 50951856
6-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-2-propylpyrimidin-4-amine
CID 50965065

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (CID 102612485) is 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is Cc1nccc(CNC(C)c2nccnc2C)n1.
What is the InChIKey of 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is PJQQWGPROFAHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-13(16-7-6-14-9)10(2)17-8-12-4-5-15-11(3)18-12/h4-7,10,17H,8H2,1-3H3.
What are the key properties of 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 102612485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).