5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C14H22N2O4 — CID 102927190

IUPAC5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O4/c1-19-8-9-20-7-6-11-15-13(17)12(14(18)16-11)10-4-2-3-5-10/h10H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyILDJKEFNXLIBJW-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.34
Rot. Bonds7

About 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102927190) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102927190
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O4/c1-19-8-9-20-7-6-11-15-13(17)12(14(18)16-11)10-4-2-3-5-10/h10H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyILDJKEFNXLIBJW-UHFFFAOYSA-N
XLogP1.34
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-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
4-hydroxy-2-(3-methylcyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 65400873
2-(3-ethylcyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65408300
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one
CID 102927165
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one
CID 102927166
5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103986016

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102927190) is 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is ILDJKEFNXLIBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-19-8-9-20-7-6-11-15-13(17)12(14(18)16-11)10-4-2-3-5-10/h10H,2-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 282.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102927190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).