1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one

C10H14N2O — CID 130485291

IUPAC1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCC2CC2)c(=O)n1
InChIInChI=1S/C10H14N2O/c1-8-4-6-12(10(13)11-8)7-5-9-2-3-9/h4,6,9H,2-3,5,7H2,1H3
InChIKeySJHMRJNCBOOBRL-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one

1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one (PubChem CID 130485291) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one
PubChem CID130485291
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCC2CC2)c(=O)n1
InChIInChI=1S/C10H14N2O/c1-8-4-6-12(10(13)11-8)7-5-9-2-3-9/h4,6,9H,2-3,5,7H2,1H3
InChIKeySJHMRJNCBOOBRL-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-4-methylpyrimidin-2-one
CID 82651652
1-but-3-ynyl-4-methylpyrimidin-2-one
CID 130485262
4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 114217446
1-(2-azidoethyl)-4-methylpyrimidin-2-one
CID 130485266
1-(2-cyclopropylethyl)-3-methylpyridin-2-one
CID 116621462
1-(2-cyclopropylethyl)-4-methylimidazol-2-amine
CID 106575832
4-methyl-1-(2-methylbutyl)pyrimidin-2-one
CID 130485301
1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
CID 58922325
5-bromo-3-(2-cyclopropylethyl)-6-methylpyrimidin-4-one
CID 66307921
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574336
4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405
2-[1-(2-cyclopropylethyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81343532

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one?
The IUPAC name of 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one (CID 130485291) is 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one is Cc1ccn(CCC2CC2)c(=O)n1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one?
The InChIKey is SJHMRJNCBOOBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-4-6-12(10(13)11-8)7-5-9-2-3-9/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one?
1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one is sourced from PubChem (CID 130485291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).