3-cyclopentyl-5,6-dimethylpyrimidin-4-one

C11H16N2O — CID 126857571

IUPAC3-cyclopentyl-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(C2CCCC2)c(=O)c1C
InChIInChI=1S/C11H16N2O/c1-8-9(2)12-7-13(11(8)14)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3
InChIKeyXFCOLFADTXNKHP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.98
Rot. Bonds1

About 3-cyclopentyl-5,6-dimethylpyrimidin-4-one

3-cyclopentyl-5,6-dimethylpyrimidin-4-one (PubChem CID 126857571) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclopentyl-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5,6-dimethylpyrimidin-4-one
PubChem CID126857571
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclopentyl-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(C2CCCC2)c(=O)c1C
InChIInChI=1S/C11H16N2O/c1-8-9(2)12-7-13(11(8)14)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3
InChIKeyXFCOLFADTXNKHP-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-5,6-dimethylpyrimidin-4-one (CID 126857571) is 3-cyclopentyl-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-5,6-dimethylpyrimidin-4-one is Cc1ncn(C2CCCC2)c(=O)c1C.
What is the InChIKey of 3-cyclopentyl-5,6-dimethylpyrimidin-4-one?
The InChIKey is XFCOLFADTXNKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9(2)12-7-13(11(8)14)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-cyclopentyl-5,6-dimethylpyrimidin-4-one?
3-cyclopentyl-5,6-dimethylpyrimidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126857571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).