5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one

C12H15F3N2O2 — CID 112569394

IUPAC5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CCC(F)(F)F)nc(O)c1C1CCCC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)6-5-8-16-10(18)9(11(19)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,16,17,18,19)
InChIKeyCWESWAZKMOTXBD-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.63
Rot. Bonds3

About 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one (PubChem CID 112569394) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
PubChem CID112569394
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CCC(F)(F)F)nc(O)c1C1CCCC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)6-5-8-16-10(18)9(11(19)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,16,17,18,19)
InChIKeyCWESWAZKMOTXBD-UHFFFAOYSA-N
XLogP2.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 43829384
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612957
4-hydroxy-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954409
5-Cyclobutyl-2-(trifluoromethyl)pyrimidine-4,6-diol
CID 99989019
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
2-(3,3-difluorocyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 114215369
4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 137010976
5-cyclopentyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 25421330
5-cyclopentyl-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734415

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one (CID 112569394) is 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one is O=c1[nH]c(CCC(F)(F)F)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The InChIKey is CWESWAZKMOTXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)6-5-8-16-10(18)9(11(19)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,16,17,18,19).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one has a molecular weight of 276.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).