6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one

C19H15F3N2O2 — CID 21090043

IUPAC6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2F)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H15F3N2O2/c1-12-18(26-10-14-5-6-16(21)8-17(14)22)23-11-24(19(12)25)9-13-3-2-4-15(20)7-13/h2-8,11H,9-10H2,1H3
InChIKeyBQKFPNRLKJZMPO-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.60
Rot. Bonds5

About 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one

6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one (PubChem CID 21090043) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
PubChem CID21090043
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2F)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H15F3N2O2/c1-12-18(26-10-14-5-6-16(21)8-17(14)22)23-11-24(19(12)25)9-13-3-2-4-15(20)7-13/h2-8,11H,9-10H2,1H3
InChIKeyBQKFPNRLKJZMPO-UHFFFAOYSA-N
XLogP3.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzyloxy)-1-(3-fluorobenzyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 22050442
3-benzyl-2-(4-fluorophenyl)-6-methyl-2H-1,3-oxazin-4-one
CID 132969069
(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-propan-2-ylpyrimidin-4-one
CID 11516001
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

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one (CID 21090043) is 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one is Cc1c(OCc2ccc(F)cc2F)ncn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The InChIKey is BQKFPNRLKJZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-12-18(26-10-14-5-6-16(21)8-17(14)22)23-11-24(19(12)25)9-13-3-2-4-15(20)7-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one has a molecular weight of 360.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 21090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).