6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one

C19H16F2N2O2 — CID 21089189

IUPAC6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H16F2N2O2/c1-13-18(25-11-14-5-7-16(20)8-6-14)22-12-23(19(13)24)10-15-3-2-4-17(21)9-15/h2-9,12H,10-11H2,1H3
InChIKeyLECIPSLMGKWQGT-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.46
Rot. Bonds5

About 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one

6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one (PubChem CID 21089189) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
PubChem CID21089189
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H16F2N2O2/c1-13-18(25-11-14-5-7-16(20)8-6-14)22-12-23(19(13)24)10-15-3-2-4-17(21)9-15/h2-9,12H,10-11H2,1H3
InChIKeyLECIPSLMGKWQGT-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
CID 132969069
1-[(4-Fluorophenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10193191
(4-fluorophenyl)methyl 3-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 10453178
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-[(4-fluorophenyl)methylamino]-3-propan-2-ylpyrimidin-4-one
CID 11496706
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-(1-methylethyl)-2-phenyl-4(3H)-pyrimidinone
CID 11532159
4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)-3-methyl-1H-pyridin-2-one
CID 11739863
2-[2-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]phenyl]acetamide
CID 21089063
2-[3-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]phenyl]acetamide
CID 21089065
2-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 21089087
2-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 21089089
3-[(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]-5-chloro-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089143
3-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5-chloro-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089145

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one (CID 21089189) is 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one is Cc1c(OCc2ccc(F)cc2)ncn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The InChIKey is LECIPSLMGKWQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-13-18(25-11-14-5-7-16(20)8-6-14)22-12-23(19(13)24)10-15-3-2-4-17(21)9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one has a molecular weight of 342.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 21089189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).