2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone

C12H16N2O — CID 130871155

IUPAC2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone
SMILESCc1ncncc1C(=O)CC1CCCC1
InChIInChI=1S/C12H16N2O/c1-9-11(7-13-8-14-9)12(15)6-10-4-2-3-5-10/h7-8,10H,2-6H2,1H3
InChIKeyDVEAOOKPOODHOD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.55
Rot. Bonds3

About 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone

2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone (PubChem CID 130871155) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone
PubChem CID130871155
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone
SMILESCc1ncncc1C(=O)CC1CCCC1
InChIInChI=1S/C12H16N2O/c1-9-11(7-13-8-14-9)12(15)6-10-4-2-3-5-10/h7-8,10H,2-6H2,1H3
InChIKeyDVEAOOKPOODHOD-UHFFFAOYSA-N
XLogP2.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone (CID 130871155) is 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone is Cc1ncncc1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone?
The InChIKey is DVEAOOKPOODHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-11(7-13-8-14-9)12(15)6-10-4-2-3-5-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone?
2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 130871155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).