(2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol

C20H19FN2O — CID 139215019

IUPAC(2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol
SMILESCc1cc(C)c(-c2nccc(C(O)c3ccccc3F)n2)c(C)c1
InChIInChI=1S/C20H19FN2O/c1-12-10-13(2)18(14(3)11-12)20-22-9-8-17(23-20)19(24)15-6-4-5-7-16(15)21/h4-11,19,24H,1-3H3
InChIKeyKJMMROPZMAKCNZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.29
Rot. Bonds3

About (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol

(2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol (PubChem CID 139215019) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol
PubChem CID139215019
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name(2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol
SMILESCc1cc(C)c(-c2nccc(C(O)c3ccccc3F)n2)c(C)c1
InChIInChI=1S/C20H19FN2O/c1-12-10-13(2)18(14(3)11-12)20-22-9-8-17(23-20)19(24)15-6-4-5-7-16(15)21/h4-11,19,24H,1-3H3
InChIKeyKJMMROPZMAKCNZ-UHFFFAOYSA-N
XLogP4.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol?
The IUPAC name of (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol (CID 139215019) is (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol?
The canonical SMILES for (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol is Cc1cc(C)c(-c2nccc(C(O)c3ccccc3F)n2)c(C)c1.
What is the InChIKey of (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol?
The InChIKey is KJMMROPZMAKCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-12-10-13(2)18(14(3)11-12)20-22-9-8-17(23-20)19(24)15-6-4-5-7-16(15)21/h4-11,19,24H,1-3H3.
What are the key properties of (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol?
(2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol has a molecular weight of 322.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 139215019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).