1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one

C13H12F3N3O — CID 23318777

IUPAC1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C)c(-c2ccncn2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H12F3N3O/c1-3-19-8(2)9(11-4-5-17-7-18-11)6-10(12(19)20)13(14,15)16/h4-7H,3H2,1-2H3
InChIKeyAEGMLMLKBZZAFS-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.65
Rot. Bonds2

About 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one

1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 23318777) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one
PubChem CID23318777
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C)c(-c2ccncn2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H12F3N3O/c1-3-19-8(2)9(11-4-5-17-7-18-11)6-10(12(19)20)13(14,15)16/h4-7H,3H2,1-2H3
InChIKeyAEGMLMLKBZZAFS-UHFFFAOYSA-N
XLogP2.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one (CID 23318777) is 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one is CCn1c(C)c(-c2ccncn2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is AEGMLMLKBZZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-3-19-8(2)9(11-4-5-17-7-18-11)6-10(12(19)20)13(14,15)16/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one?
1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 23318777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).