3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C25H23F3N2O3 — CID 18919152

IUPAC3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2n(c1=O)C(C)CCC2
InChIInChI=1S/C25H23F3N2O3/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/h6-13,15H,3-5,14H2,1-2H3
InChIKeyWOGSIWAQZWXCMT-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.28
Rot. Bonds5

About 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 18919152) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID18919152
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2n(c1=O)C(C)CCC2
InChIInChI=1S/C25H23F3N2O3/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/h6-13,15H,3-5,14H2,1-2H3
InChIKeyWOGSIWAQZWXCMT-UHFFFAOYSA-N
XLogP5.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.28
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
8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 18918945
3-Methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18919206
3,6-Dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
CID 18919262
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 18919332
6-[(2,4-Difluorophenyl)methoxy]-5-[(2,4-difluorophenyl)methyl]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089323
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrimidin-4-one
CID 21089668
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one
CID 21089681
methyl 4-{[4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzoate
CID 21090204
methyl 4-[[2-methyl-4-oxo-3-[phenyl-[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzoate
CID 59314759
Benzamide,4-[4-[(2,4-difluorophenyl)methoxy]-1,6-dihydro-1-(1-methylethyl)-6-oxo-2-pyrimidinyl]-
CID 69352263
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 69959494

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 18919152) is 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)nc2n(c1=O)C(C)CCC2.
What is the InChIKey of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WOGSIWAQZWXCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/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/h6-13,15H,3-5,14H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3,6-dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 456.46 g/mol, XLogP of 5.28, 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]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18919152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).