3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one

C16H19FN2O2 — CID 70978871

IUPAC3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one
SMILESO=C1C(O)=CNC(c2ccc(F)cc2)N1C1CCCCC1
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-10-14(20)16(21)19(15)13-4-2-1-3-5-13/h6-10,13,15,18,20H,1-5H2
InChIKeyAEWMHMMORGWBPR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.99
Rot. Bonds2

About 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one

3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one (PubChem CID 70978871) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one
PubChem CID70978871
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one
SMILESO=C1C(O)=CNC(c2ccc(F)cc2)N1C1CCCCC1
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-10-14(20)16(21)19(15)13-4-2-1-3-5-13/h6-10,13,15,18,20H,1-5H2
InChIKeyAEWMHMMORGWBPR-UHFFFAOYSA-N
XLogP2.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450067
1-Cyclohexyl-3-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450155
5-Hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 122189435
1-Benzyl-3-hydroxy-4-[(1-phenylethylamino)methyl]pyridin-2-one
CID 9997015
1-Benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one
CID 10042063
1-(4-Dibenzylamino-but-2-enyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 44333390
1-[(E)-cinnamyl]-3-[(3,5-difluorophenyl)methyl]pyrimidine-2,4-dione
CID 71525134
1-[4-(Benzhydrylamino)butyl]pyrimidine-2,4-dione
CID 73347672
1-(3-(Benzhydrylamino)propyl)uracil
CID 73350769
5-Fluoro-1,3-bis[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 745127
N-benzhydryl-3-(2-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778421
N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(2-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778433

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one?
The IUPAC name of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one (CID 70978871) is 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one is O=C1C(O)=CNC(c2ccc(F)cc2)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one?
The InChIKey is AEWMHMMORGWBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-10-14(20)16(21)19(15)13-4-2-1-3-5-13/h6-10,13,15,18,20H,1-5H2.
What are the key properties of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one?
3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one has a molecular weight of 290.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 70978871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).