2-(1-methylcyclopentyl)-1H-pyrimidin-6-one

C10H14N2O — CID 134126492

IUPAC2-(1-methylcyclopentyl)-1H-pyrimidin-6-one
SMILESCC1(c2nccc(=O)[nH]2)CCCC1
InChIInChI=1S/C10H14N2O/c1-10(5-2-3-6-10)9-11-7-4-8(13)12-9/h4,7H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyYRTHSDWPQAZMCA-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.60
Rot. Bonds1

About 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one

2-(1-methylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 134126492) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID134126492
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-(1-methylcyclopentyl)-1H-pyrimidin-6-one
SMILESCC1(c2nccc(=O)[nH]2)CCCC1
InChIInChI=1S/C10H14N2O/c1-10(5-2-3-6-10)9-11-7-4-8(13)12-9/h4,7H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyYRTHSDWPQAZMCA-UHFFFAOYSA-N
XLogP1.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
2-(1-fluorocyclopentyl)-1H-pyrimidin-6-one
CID 69299960
2-(3,3-difluorocyclopentyl)-1H-pyrimidin-6-one
CID 133624759
2-Butylpyrimidin-4-ol
CID 10511035
2-pentyl-1H-pyrimidin-6-one
CID 66594866
2-(Cyclobutylmethyl)pyrimidin-4-ol
CID 67513421
4-amino-2-cyclopentyl-1H-pyrimidin-6-one
CID 136085103
2-(2-methylbutan-2-yl)-1H-pyrimidin-6-one
CID 164110370
2-(5-methylundecan-5-yl)-1H-pyrimidin-6-one
CID 170114293
2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one
CID 170118165
2-(1-aminocyclopentyl)-1H-pyrimidin-6-one
CID 56801624

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one (CID 134126492) is 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one is CC1(c2nccc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is YRTHSDWPQAZMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(5-2-3-6-10)9-11-7-4-8(13)12-9/h4,7H,2-3,5-6H2,1H3,(H,11,12,13).
What are the key properties of 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one?
2-(1-methylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 178.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 134126492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).