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

C13H18F2N2O3 — CID 103146660

IUPAC5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CCOCC(F)F)nc(O)c1C1CCCC1
InChIInChI=1S/C13H18F2N2O3/c14-9(15)7-20-6-5-10-16-12(18)11(13(19)17-10)8-3-1-2-4-8/h8-9H,1-7H2,(H2,16,17,18,19)
InChIKeyLLIKAHZTIVCEBN-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.96
Rot. Bonds6

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

5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 103146660) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID103146660
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CCOCC(F)F)nc(O)c1C1CCCC1
InChIInChI=1S/C13H18F2N2O3/c14-9(15)7-20-6-5-10-16-12(18)11(13(19)17-10)8-3-1-2-4-8/h8-9H,1-7H2,(H2,16,17,18,19)
InChIKeyLLIKAHZTIVCEBN-UHFFFAOYSA-N
XLogP1.96
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.96
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

4-hydroxy-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146611
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
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113780657
2-(3,3-difluorocyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 114215369
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
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-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 103146660) is 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(CCOCC(F)F)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LLIKAHZTIVCEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c14-9(15)7-20-6-5-10-16-12(18)11(13(19)17-10)8-3-1-2-4-8/h8-9H,1-7H2,(H2,16,17,18,19).
What are the key properties of 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 288.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103146660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).