4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one

C12H18N2O2 — CID 136729406

IUPAC4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-8(16-2)12-13-10(7-11(15)14-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyWBZRYDAGWGEYNO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.13
Rot. Bonds3

About 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 136729406) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID136729406
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-8(16-2)12-13-10(7-11(15)14-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyWBZRYDAGWGEYNO-UHFFFAOYSA-N
XLogP2.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842479
4-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842480
4-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890461
4-cyclopentyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890462
2-cyclopentyl-6-ethylpyrimidin-4(3H)-one
CID 136085107
2-cyclopentyl-4-propyl-1H-pyrimidin-6-one
CID 136085105
2-cyclopentyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136085108
2-(3-methylcyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136239560
2-(3-methylcyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136239613
4-ethyl-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 136239638
2-(oxolan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136274221
2-(oxolan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136274224

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one (CID 136729406) is 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one is COC(C)c1nc(C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is WBZRYDAGWGEYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(16-2)12-13-10(7-11(15)14-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).