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

C16H19FN2O2 — CID 123401378

IUPAC3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccc(F)cc2)N(C2CCCCC2)CC1O
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-16(21)14(20)10-19(15)13-4-2-1-3-5-13/h6-9,13-14,20H,1-5,10H2
InChIKeySWYJWGKVQLHOBM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.11
Rot. Bonds2

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

3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one (PubChem CID 123401378) 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-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
PubChem CID123401378
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccc(F)cc2)N(C2CCCCC2)CC1O
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-16(21)14(20)10-19(15)13-4-2-1-3-5-13/h6-9,13-14,20H,1-5,10H2
InChIKeySWYJWGKVQLHOBM-UHFFFAOYSA-N
XLogP2.11
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one (CID 123401378) is 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one is O=C1N=C(c2ccc(F)cc2)N(C2CCCCC2)CC1O.
What is the InChIKey of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
The InChIKey is SWYJWGKVQLHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-16(21)14(20)10-19(15)13-4-2-1-3-5-13/h6-9,13-14,20H,1-5,10H2.
What are the key properties of 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one?
3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one has a molecular weight of 290.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123401378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).