1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one

C13H12F3N3O — CID 23318785

IUPAC1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCc1c(-c2ncccn2)c(C)n(C)c(=O)c1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-7-9(11-17-5-4-6-18-11)8(2)19(3)12(20)10(7)13(14,15)16/h4-6H,1-3H3
InChIKeyPIEQTAGTQQGVNG-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.48
Rot. Bonds1

About 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one

1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 23318785) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one
PubChem CID23318785
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCc1c(-c2ncccn2)c(C)n(C)c(=O)c1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-7-9(11-17-5-4-6-18-11)8(2)19(3)12(20)10(7)13(14,15)16/h4-6H,1-3H3
InChIKeyPIEQTAGTQQGVNG-UHFFFAOYSA-N
XLogP2.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one (CID 23318785) is 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one is Cc1c(-c2ncccn2)c(C)n(C)c(=O)c1C(F)(F)F.
What is the InChIKey of 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is PIEQTAGTQQGVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-9(11-17-5-4-6-18-11)8(2)19(3)12(20)10(7)13(14,15)16/h4-6H,1-3H3.
What are the key properties of 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one?
1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-5-pyrimidin-2-yl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 23318785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).