1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one

C18H21FN2O — CID 10494460

IUPAC1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccc(F)cc2)c(C)n1C1CCCCC1
InChIInChI=1S/C18H21FN2O/c1-12-17(14-8-10-15(19)11-9-14)18(22)20-13(2)21(12)16-6-4-3-5-7-16/h8-11,16H,3-7H2,1-2H3
InChIKeyMGNMFSFDELSDMG-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.17
Rot. Bonds2

About 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one

1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 10494460) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one
PubChem CID10494460
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccc(F)cc2)c(C)n1C1CCCCC1
InChIInChI=1S/C18H21FN2O/c1-12-17(14-8-10-15(19)11-9-14)18(22)20-13(2)21(12)16-6-4-3-5-7-16/h8-11,16H,3-7H2,1-2H3
InChIKeyMGNMFSFDELSDMG-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one (CID 10494460) is 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one is Cc1nc(=O)c(-c2ccc(F)cc2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is MGNMFSFDELSDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-17(14-8-10-15(19)11-9-14)18(22)20-13(2)21(12)16-6-4-3-5-7-16/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one?
1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(4-fluorophenyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 10494460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).