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

C11H9F3N2O — CID 59284002

IUPAC3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2cccc(C)n2c1=O
InChIInChI=1S/C11H9F3N2O/c1-6-4-3-5-8-15-9(11(12,13)14)7(2)10(17)16(6)8/h3-5H,1-2H3
InChIKeyDOLZMOAOBVVXGF-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.33
Rot. Bonds

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

3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 59284002) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID59284002
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2cccc(C)n2c1=O
InChIInChI=1S/C11H9F3N2O/c1-6-4-3-5-8-15-9(11(12,13)14)7(2)10(17)16(6)8/h3-5H,1-2H3
InChIKeyDOLZMOAOBVVXGF-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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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 59284002) is 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1c(C(F)(F)F)nc2cccc(C)n2c1=O.
What is the InChIKey of 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DOLZMOAOBVVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-4-3-5-8-15-9(11(12,13)14)7(2)10(17)16(6)8/h3-5H,1-2H3.
What are the key properties of 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3,6-dimethyl-2-(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 3,6-dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59284002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).