[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol

C20H19FN2O — CID 14513900

IUPAC[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H19FN2O/c1-13(2)18-17(12-24)19(14-8-10-16(21)11-9-14)23-20(22-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3
InChIKeyRJSJGAMEZOCPBW-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.57
Rot. Bonds4

About [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol

[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol (PubChem CID 14513900) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol
PubChem CID14513900
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H19FN2O/c1-13(2)18-17(12-24)19(14-8-10-16(21)11-9-14)23-20(22-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3
InChIKeyRJSJGAMEZOCPBW-UHFFFAOYSA-N
XLogP4.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol (CID 14513900) is [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol is CC(C)c1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol?
The InChIKey is RJSJGAMEZOCPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-13(2)18-17(12-24)19(14-8-10-16(21)11-9-14)23-20(22-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol?
[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol has a molecular weight of 322.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methanol is sourced from PubChem (CID 14513900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).