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

C13H10F3N5O2 — CID 118598584

IUPAC3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C13H10F3N5O2/c1-12(13(14,15)16)20-10(22)8-3-2-7(11(23)21(8)12)19-9-4-5-17-6-18-9/h2-6H,1H3,(H,20,22)(H,17,18,19)
InChIKeyJKTPLWUWZRKRRA-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.36
Rot. Bonds2

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

3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598584) has the molecular formula C13H10F3N5O2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598584
Molecular FormulaC13H10F3N5O2
Molecular Weight325.25 g/mol
Exact Mass325.08
IUPAC Name3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C13H10F3N5O2/c1-12(13(14,15)16)20-10(22)8-3-2-7(11(23)21(8)12)19-9-4-5-17-6-18-9/h2-6H,1H3,(H,20,22)(H,17,18,19)
InChIKeyJKTPLWUWZRKRRA-UHFFFAOYSA-N
XLogP1.36
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598584) is 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is JKTPLWUWZRKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2/c1-12(13(14,15)16)20-10(22)8-3-2-7(11(23)21(8)12)19-9-4-5-17-6-18-9/h2-6H,1H3,(H,20,22)(H,17,18,19).
What are the key properties of 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 325.25 g/mol, XLogP of 1.36, 2 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-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).