5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one

C19H16F2N2O3 — CID 161167314

IUPAC5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one
SMILESCc1ncc(-c2c(F)cccc2F)c(=O)n1C(O)C(O)c1ccccc1
InChIInChI=1S/C19H16F2N2O3/c1-11-22-10-13(16-14(20)8-5-9-15(16)21)18(25)23(11)19(26)17(24)12-6-3-2-4-7-12/h2-10,17,19,24,26H,1H3
InChIKeyUQSHJSLUCUXLQL-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.72
Rot. Bonds4

About 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one

5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one (PubChem CID 161167314) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one
PubChem CID161167314
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one
SMILESCc1ncc(-c2c(F)cccc2F)c(=O)n1C(O)C(O)c1ccccc1
InChIInChI=1S/C19H16F2N2O3/c1-11-22-10-13(16-14(20)8-5-9-15(16)21)18(25)23(11)19(26)17(24)12-6-3-2-4-7-12/h2-10,17,19,24,26H,1H3
InChIKeyUQSHJSLUCUXLQL-UHFFFAOYSA-N
XLogP2.72
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methyl-4(3H)-pyrimidinone
CID 53192042
6-[2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027889
6-[2-(2,3-Difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028244
6-[2-(2,5-Difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylbutan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 166816069
2-[[[2-(4-Fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60330436
2-[[[2-(4-Fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 60330439
3-[2-(2-Fluorophenyl)-2-hydroxyethyl]pyrimidin-4-one
CID 103734623
3-[2-(2,3-Difluorophenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 108252452
3-[2-(2-Fluorophenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 108252453
3-[2-(2,3-Difluorophenyl)-2-hydroxyethyl]pyrimidin-4-one
CID 108252454
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110891745
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111565786

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one (CID 161167314) is 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one is Cc1ncc(-c2c(F)cccc2F)c(=O)n1C(O)C(O)c1ccccc1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one?
The InChIKey is UQSHJSLUCUXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-11-22-10-13(16-14(20)8-5-9-15(16)21)18(25)23(11)19(26)17(24)12-6-3-2-4-7-12/h2-10,17,19,24,26H,1H3.
What are the key properties of 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one?
5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one has a molecular weight of 358.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 161167314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).