[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol

C18H15FN2O — CID 14513894

IUPAC[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C18H15FN2O/c1-12-16(11-22)17(13-7-9-15(19)10-8-13)21-18(20-12)14-5-3-2-4-6-14/h2-10,22H,11H2,1H3
InChIKeyMKKYIAKPRTXFNC-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.75
Rot. Bonds3

About [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol

[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol (PubChem CID 14513894) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol
PubChem CID14513894
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C18H15FN2O/c1-12-16(11-22)17(13-7-9-15(19)10-8-13)21-18(20-12)14-5-3-2-4-6-14/h2-10,22H,11H2,1H3
InChIKeyMKKYIAKPRTXFNC-UHFFFAOYSA-N
XLogP3.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol (CID 14513894) is [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol is Cc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
The InChIKey is MKKYIAKPRTXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-12-16(11-22)17(13-7-9-15(19)10-8-13)21-18(20-12)14-5-3-2-4-6-14/h2-10,22H,11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol?
[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol has a molecular weight of 294.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]methanol is sourced from PubChem (CID 14513894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).