3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C14H12F3N5O2 — CID 118598991

IUPAC3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C14H12F3N5O2/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10/h2-5,7H,6H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyXDQARUIZEWXSRW-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.75
Rot. Bonds3

About 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598991) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598991
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C14H12F3N5O2/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10/h2-5,7H,6H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyXDQARUIZEWXSRW-UHFFFAOYSA-N
XLogP1.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione 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 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598991) is 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is XDQARUIZEWXSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10/h2-5,7H,6H2,1H3,(H,21,23)(H,18,19,20).
What are the key properties of 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 339.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).