2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C11H9F3N2O — CID 172561001

IUPAC2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c(C(F)(F)F)c(=O)n2c1
InChIInChI=1S/C11H9F3N2O/c1-6-3-4-8-15-7(2)9(11(12,13)14)10(17)16(8)5-6/h3-5H,1-2H3
InChIKeyOTIMHONIVPIWGX-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.33
Rot. Bonds

About 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 172561001) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID172561001
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c(C(F)(F)F)c(=O)n2c1
InChIInChI=1S/C11H9F3N2O/c1-6-3-4-8-15-7(2)9(11(12,13)14)10(17)16(8)5-6/h3-5H,1-2H3
InChIKeyOTIMHONIVPIWGX-UHFFFAOYSA-N
XLogP2.33
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,9-dimethyl-3-ethyl-, monohydrochloride
CID 3062164
4H-Pyrido(1,2-a)pyrimidin-4-one, 3,6-dimethyl-2-ethyl-, monohydrochloride
CID 3053742
4H-Pyrido(1,2-a)pyrimidin-4-one, 2-methyl-3-propyl-, monohydrochloride
CID 3053746
4H-Pyrido(1,2-a)pyrimidin-4-one, 7-chloro-3-ethyl-2-methyl-, monohydrochloride
CID 3053806
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 12527405
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
7-(Trifluoromethyl)-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892467
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 172561001) is 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C)c(C(F)(F)F)c(=O)n2c1.
What is the InChIKey of 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OTIMHONIVPIWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-3-4-8-15-7(2)9(11(12,13)14)10(17)16(8)5-6/h3-5H,1-2H3.
What are the key properties of 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 242.20 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 172561001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).