3-(cyclopentylmethyl)-5-methylpyrimidin-4-one

C11H16N2O — CID 126857604

IUPAC3-(cyclopentylmethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCCC2)c1=O
InChIInChI=1S/C11H16N2O/c1-9-6-12-8-13(11(9)14)7-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3
InChIKeyOJQIOFMVSGNFEK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.74
Rot. Bonds2

About 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one

3-(cyclopentylmethyl)-5-methylpyrimidin-4-one (PubChem CID 126857604) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5-methylpyrimidin-4-one
PubChem CID126857604
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(cyclopentylmethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCCC2)c1=O
InChIInChI=1S/C11H16N2O/c1-9-6-12-8-13(11(9)14)7-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3
InChIKeyOJQIOFMVSGNFEK-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one?
The IUPAC name of 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one (CID 126857604) is 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one?
The canonical SMILES for 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one is Cc1cncn(CC2CCCC2)c1=O.
What is the InChIKey of 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one?
The InChIKey is OJQIOFMVSGNFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-6-12-8-13(11(9)14)7-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one?
3-(cyclopentylmethyl)-5-methylpyrimidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5-methylpyrimidin-4-one is sourced from PubChem (CID 126857604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).