3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H17F3N4O — CID 86780402

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1cc(C)nc(N(C)C2CCN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C13H17F3N4O/c1-8-6-9(2)18-12(17-8)19(3)10-4-5-20(11(10)21)7-13(14,15)16/h6,10H,4-5,7H2,1-3H3
InChIKeyJRZORFQBQKDPKT-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.69
Rot. Bonds3

About 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 86780402) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID86780402
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1cc(C)nc(N(C)C2CCN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C13H17F3N4O/c1-8-6-9(2)18-12(17-8)19(3)10-4-5-20(11(10)21)7-13(14,15)16/h6,10H,4-5,7H2,1-3H3
InChIKeyJRZORFQBQKDPKT-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-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-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 86780402) is 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cc1cc(C)nc(N(C)C2CCN(CC(F)(F)F)C2=O)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is JRZORFQBQKDPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8-6-9(2)18-12(17-8)19(3)10-4-5-20(11(10)21)7-13(14,15)16/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 302.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 86780402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).