6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one

C19H13F5N2O2 — CID 21090032

IUPAC6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)cc(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13F5N2O2/c1-11-25-17(28-10-12-6-7-13(20)8-15(12)21)9-18(27)26(11)16-5-3-2-4-14(16)19(22,23)24/h2-9H,10H2,1H3
InChIKeyLPPKTPNGHVQXIB-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.42
Rot. Bonds4

About 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one

6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one (PubChem CID 21090032) has the molecular formula C19H13F5N2O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
PubChem CID21090032
Molecular FormulaC19H13F5N2O2
Molecular Weight396.32 g/mol
Exact Mass396.09
IUPAC Name6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)cc(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13F5N2O2/c1-11-25-17(28-10-12-6-7-13(20)8-15(12)21)9-18(27)26(11)16-5-3-2-4-14(16)19(22,23)24/h2-9H,10H2,1H3
InChIKeyLPPKTPNGHVQXIB-UHFFFAOYSA-N
XLogP4.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.42
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]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one (CID 21090032) is 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)cc(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
The InChIKey is LPPKTPNGHVQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O2/c1-11-25-17(28-10-12-6-7-13(20)8-15(12)21)9-18(27)26(11)16-5-3-2-4-14(16)19(22,23)24/h2-9H,10H2,1H3.
What are the key properties of 6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one?
6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one has a molecular weight of 396.32 g/mol, XLogP of 4.42, 4 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]-2-methyl-3-[2-(trifluoromethyl)phenyl]pyrimidin-4-one is sourced from PubChem (CID 21090032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).