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

C12H18N2O3 — CID 112569323

IUPAC5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7(17-2)10-13-11(15)9(12(16)14-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyGJIUQSVXOGAJBL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.84
Rot. Bonds3

About 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 112569323) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID112569323
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7(17-2)10-13-11(15)9(12(16)14-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyGJIUQSVXOGAJBL-UHFFFAOYSA-N
XLogP1.84
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146660
5-cyclopentyl-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146661
5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473516
5-cyclopentyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 25421330
5-cyclopentyl-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734415
5-cyclopentyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734457
2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734501
2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612951
2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878
4-hydroxy-2-(1-methoxyethyl)-5-propyl-1H-pyrimidin-6-one
CID 79617234
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235
5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927190

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one (CID 112569323) is 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one is COC(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is GJIUQSVXOGAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(17-2)10-13-11(15)9(12(16)14-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).