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

C13H20N2O3 — CID 106814976

IUPAC5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-2-18-8-7-10-14-12(16)11(13(17)15-10)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyWBQHIUDEPOJXAM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.71
Rot. Bonds5

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

5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 106814976) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID106814976
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-2-18-8-7-10-14-12(16)11(13(17)15-10)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyWBQHIUDEPOJXAM-UHFFFAOYSA-N
XLogP1.71
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 112569351
5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 112569394
6-Hydroxy-5-{2-[(6-hydroxy-2-methyl-4-oxo(3-hydropyrimidin-5-yl))methyl]pentyl}-2-methyl-3-hydropyrimidin-4-one
CID 3417097
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-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63612445
2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612951

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 106814976) is 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one is CCOCCc1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WBQHIUDEPOJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-18-8-7-10-14-12(16)11(13(17)15-10)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 106814976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).