3-cyclopentyl-6-methylpyrimidin-4-one

C10H14N2O — CID 126857539

IUPAC3-cyclopentyl-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(C2CCCC2)cn1
InChIInChI=1S/C10H14N2O/c1-8-6-10(13)12(7-11-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyDIINOIPJSATKKN-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.67
Rot. Bonds1

About 3-cyclopentyl-6-methylpyrimidin-4-one

3-cyclopentyl-6-methylpyrimidin-4-one (PubChem CID 126857539) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-cyclopentyl-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-6-methylpyrimidin-4-one
PubChem CID126857539
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-cyclopentyl-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(C2CCCC2)cn1
InChIInChI=1S/C10H14N2O/c1-8-6-10(13)12(7-11-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyDIINOIPJSATKKN-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-methylpyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-6-methylpyrimidin-4-one (CID 126857539) is 3-cyclopentyl-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-6-methylpyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-6-methylpyrimidin-4-one is Cc1cc(=O)n(C2CCCC2)cn1.
What is the InChIKey of 3-cyclopentyl-6-methylpyrimidin-4-one?
The InChIKey is DIINOIPJSATKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-10(13)12(7-11-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-6-methylpyrimidin-4-one?
3-cyclopentyl-6-methylpyrimidin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-methylpyrimidin-4-one is sourced from PubChem (CID 126857539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).