2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone

C12H16N2O2 — CID 102950129

IUPAC2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)CC2CCCC2)ncn1
InChIInChI=1S/C12H16N2O2/c1-16-12-7-10(13-8-14-12)11(15)6-9-4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeyHZPODLNHRKAVAG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.25
Rot. Bonds4

About 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone

2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone (PubChem CID 102950129) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone
PubChem CID102950129
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)CC2CCCC2)ncn1
InChIInChI=1S/C12H16N2O2/c1-16-12-7-10(13-8-14-12)11(15)6-9-4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeyHZPODLNHRKAVAG-UHFFFAOYSA-N
XLogP2.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone (CID 102950129) is 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone is COc1cc(C(=O)CC2CCCC2)ncn1.
What is the InChIKey of 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is HZPODLNHRKAVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12-7-10(13-8-14-12)11(15)6-9-4-2-3-5-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone?
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 102950129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).