3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C9H9F3N2O — CID 59284045

IUPAC3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c(C(F)(F)F)n2c(nc1=O)CCC2
InChIInChI=1S/C9H9F3N2O/c1-5-7(9(10,11)12)14-4-2-3-6(14)13-8(5)15/h2-4H2,1H3
InChIKeySGUBUIZEPCMULH-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.52
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 59284045) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID59284045
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c(C(F)(F)F)n2c(nc1=O)CCC2
InChIInChI=1S/C9H9F3N2O/c1-5-7(9(10,11)12)14-4-2-3-6(14)13-8(5)15/h2-4H2,1H3
InChIKeySGUBUIZEPCMULH-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-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 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 59284045) is 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is Cc1c(C(F)(F)F)n2c(nc1=O)CCC2.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is SGUBUIZEPCMULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5-7(9(10,11)12)14-4-2-3-6(14)13-8(5)15/h2-4H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 218.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 59284045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).