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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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).