3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one

C14H15FN2O2 — CID 123196299

IUPAC3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccc(F)cc2)N(C2CCC2)CC1O
InChIInChI=1S/C14H15FN2O2/c15-10-6-4-9(5-7-10)13-16-14(19)12(18)8-17(13)11-2-1-3-11/h4-7,11-12,18H,1-3,8H2
InChIKeyJSHLBOQAMMWLSL-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.33
Rot. Bonds2

About 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one

3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one (PubChem CID 123196299) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
PubChem CID123196299
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccc(F)cc2)N(C2CCC2)CC1O
InChIInChI=1S/C14H15FN2O2/c15-10-6-4-9(5-7-10)13-16-14(19)12(18)8-17(13)11-2-1-3-11/h4-7,11-12,18H,1-3,8H2
InChIKeyJSHLBOQAMMWLSL-UHFFFAOYSA-N
XLogP1.33
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Fluorophenyl)-4,6-dimethyl-1,2,4-oxadiazin-5-one
CID 132466874
3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
CID 70977890
3-Cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
CID 123401378
5,6-dihydroxy-2-phenylpyrimidin-4(5H)-one
CID 91703449
3-Cyclohexyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
CID 123171163
3-Cyclobutyl-5-hydroxy-2-[(4-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one
CID 123227703
3-Cyclobutyl-5-hydroxy-2-(3-methylphenyl)-4,5-dihydropyrimidin-6-one
CID 123277494
3-Heptan-2-yl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
CID 123396997
3-Cyclohexyl-5-hydroxy-2-(4-methylphenyl)-4,5-dihydropyrimidin-6-one
CID 123531355
3-Cyclopentyl-5-hydroxy-2-(4-phenylphenyl)-4,5-dihydropyrimidin-6-one
CID 123533502
3-Cyclobutyl-5-hydroxy-2-[(2-methylphenyl)methyl]-4,5-dihydropyrimidin-6-one
CID 123632825
3-(Cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one
CID 123679164

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one (CID 123196299) is 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one is O=C1N=C(c2ccc(F)cc2)N(C2CCC2)CC1O.
What is the InChIKey of 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
The InChIKey is JSHLBOQAMMWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-6-4-9(5-7-10)13-16-14(19)12(18)8-17(13)11-2-1-3-11/h4-7,11-12,18H,1-3,8H2.
What are the key properties of 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one has a molecular weight of 262.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123196299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).