3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one

C11H10F2N2O — CID 172560987

IUPAC3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2ccccn2c(=O)c1C(F)F
InChIInChI=1S/C11H10F2N2O/c1-2-7-9(10(12)13)11(16)15-6-4-3-5-8(15)14-7/h3-6,10H,2H2,1H3
InChIKeyBQOKFHVAGZXYTJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.19
Rot. Bonds2

About 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one

3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 172560987) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID172560987
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2ccccn2c(=O)c1C(F)F
InChIInChI=1S/C11H10F2N2O/c1-2-7-9(10(12)13)11(16)15-6-4-3-5-8(15)14-7/h3-6,10H,2H2,1H3
InChIKeyBQOKFHVAGZXYTJ-UHFFFAOYSA-N
XLogP2.19
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.19
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
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
7-Bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2649456
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one (CID 172560987) is 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one is CCc1nc2ccccn2c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BQOKFHVAGZXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-7-9(10(12)13)11(16)15-6-4-3-5-8(15)14-7/h3-6,10H,2H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one?
3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 224.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-ethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 172560987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).