9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H13F3N2O2 — CID 42885384

IUPAC9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(COc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H13F3N2O2/c1-11-4-3-7-22-15(23)9-13(21-16(11)22)10-24-14-6-2-5-12(8-14)17(18,19)20/h2-9H,10H2,1H3
InChIKeyBCDLHHVJICETGC-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.60
Rot. Bonds3

About 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42885384) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42885384
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(COc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H13F3N2O2/c1-11-4-3-7-22-15(23)9-13(21-16(11)22)10-24-14-6-2-5-12(8-14)17(18,19)20/h2-9H,10H2,1H3
InChIKeyBCDLHHVJICETGC-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42885384) is 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(COc3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BCDLHHVJICETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-11-4-3-7-22-15(23)9-13(21-16(11)22)10-24-14-6-2-5-12(8-14)17(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 334.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42885384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).