6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H12F3N3O2 — CID 51293692

IUPAC6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cn3cc(C(F)(F)F)ccc3=O)cc(=O)n12
InChIInChI=1S/C16H12F3N3O2/c1-10-3-2-4-13-20-12(7-15(24)22(10)13)9-21-8-11(16(17,18)19)5-6-14(21)23/h2-8H,9H2,1H3
InChIKeyJIQXEJNBZKZAJU-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.23
Rot. Bonds2

About 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51293692) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51293692
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cn3cc(C(F)(F)F)ccc3=O)cc(=O)n12
InChIInChI=1S/C16H12F3N3O2/c1-10-3-2-4-13-20-12(7-15(24)22(10)13)9-21-8-11(16(17,18)19)5-6-14(21)23/h2-8H,9H2,1H3
InChIKeyJIQXEJNBZKZAJU-UHFFFAOYSA-N
XLogP2.23
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51293692) is 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(Cn3cc(C(F)(F)F)ccc3=O)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JIQXEJNBZKZAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-10-3-2-4-13-20-12(7-15(24)22(10)13)9-21-8-11(16(17,18)19)5-6-14(21)23/h2-8H,9H2,1H3.
What are the key properties of 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 335.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51293692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).