3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one

C25H19F3N2O3 — CID 18919262

IUPAC3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2cccc(C)n2c1=O
InChIInChI=1S/C25H19F3N2O3/c1-15-4-3-5-21-29-23(16(2)24(32)30(15)21)33-14-17-6-8-18(9-7-17)22(31)19-10-12-20(13-11-19)25(26,27)28/h3-13H,14H2,1-2H3
InChIKeySXGKEOQKYKVIOV-UHFFFAOYSA-N
MW452.43 g/mol
LogP5.14
Rot. Bonds5

About 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one

3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18919262) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18919262
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC Name3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2cccc(C)n2c1=O
InChIInChI=1S/C25H19F3N2O3/c1-15-4-3-5-21-29-23(16(2)24(32)30(15)21)33-14-17-6-8-18(9-7-17)22(31)19-10-12-20(13-11-19)25(26,27)28/h3-13H,14H2,1-2H3
InChIKeySXGKEOQKYKVIOV-UHFFFAOYSA-N
XLogP5.14
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18918929
3,6-Dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18919152
7-[4-(4-Fluorobenzoyl)benzyloxy]-3,6-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 18919194
3-Methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18919206
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 18919332
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 69959494
3-Methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
CID 69961145
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 139716705
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(trifluoromethyl)benzoate
CID 8285893
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 55536266
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(trifluoromethyl)phenyl]benzoate
CID 71902821
2-[[4-(4-Chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 18918811

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one (CID 18919262) is 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2cccc(C)n2c1=O.
What is the InChIKey of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SXGKEOQKYKVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c1-15-4-3-5-21-29-23(16(2)24(32)30(15)21)33-14-17-6-8-18(9-7-17)22(31)19-10-12-20(13-11-19)25(26,27)28/h3-13H,14H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one?
3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 452.43 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18919262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).