8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C11H9F3N2O — CID 156409659

IUPAC8-ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1=CC2=NC(=CC(=O)N2C=C1)C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c1-2-7-3-4-16-9(5-7)15-8(6-10(16)17)11(12,13)14/h3-6H,2H2,1H3
InChIKeyYKJSZZOFKRCCBF-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.40
Rot. Bonds1

About 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 156409659) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 8-ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID156409659
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name8-ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1=CC2=NC(=CC(=O)N2C=C1)C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c1-2-7-3-4-16-9(5-7)15-8(6-10(16)17)11(12,13)14/h3-6H,2H2,1H3
InChIKeyYKJSZZOFKRCCBF-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity483

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methyl-3-propyl-, monohydrochloride
CID 3053746
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
2-[[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2085635
7-Bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2649456
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
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
CID 18566185
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824

Frequently Asked Questions

What is the IUPAC name of 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 156409659) is 8-ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CCC1=CC2=NC(=CC(=O)N2C=C1)C(F)(F)F.
What is the InChIKey of 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YKJSZZOFKRCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-2-7-3-4-16-9(5-7)15-8(6-10(16)17)11(12,13)14/h3-6H,2H2,1H3.
What are the key properties of 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 242.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 156409659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).