2-cyclopentyl-3-methylpyrimidin-4-one

C10H14N2O — CID 154380161

IUPAC2-cyclopentyl-3-methylpyrimidin-4-one
SMILESCn1c(C2CCCC2)nccc1=O
InChIInChI=1S/C10H14N2O/c1-12-9(13)6-7-11-10(12)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyIEQZOVOOLKNOTO-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.44
Rot. Bonds1

About 2-cyclopentyl-3-methylpyrimidin-4-one

2-cyclopentyl-3-methylpyrimidin-4-one (PubChem CID 154380161) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-cyclopentyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-methylpyrimidin-4-one
PubChem CID154380161
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-cyclopentyl-3-methylpyrimidin-4-one
SMILESCn1c(C2CCCC2)nccc1=O
InChIInChI=1S/C10H14N2O/c1-12-9(13)6-7-11-10(12)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyIEQZOVOOLKNOTO-UHFFFAOYSA-N
XLogP1.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
6-Chloro-3-[(3,3-difluorocyclopentyl)methyl]-2-ethylpyrimidin-4-one
CID 114224999
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 7-methyl
CID 529097
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
CID 529098
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 9-methyl
CID 529099
10-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 20488290
6-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58125140
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 130337027
3-Hexyl-2-methylpyrimidin-4-one
CID 141270985
3-Methyl-2-propan-2-ylpyrimidin-4-one
CID 142603681
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
CID 142822927

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methylpyrimidin-4-one?
The IUPAC name of 2-cyclopentyl-3-methylpyrimidin-4-one (CID 154380161) is 2-cyclopentyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-methylpyrimidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-methylpyrimidin-4-one is Cn1c(C2CCCC2)nccc1=O.
What is the InChIKey of 2-cyclopentyl-3-methylpyrimidin-4-one?
The InChIKey is IEQZOVOOLKNOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-9(13)6-7-11-10(12)8-4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-3-methylpyrimidin-4-one?
2-cyclopentyl-3-methylpyrimidin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 154380161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).