3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one

C14H19F3N4O2S — CID 155283083

IUPAC3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one
SMILESCS(=O)c1ncc(C(F)(F)F)c(NCCCN2CC(C)(C)C2=O)n1
InChIInChI=1S/C14H19F3N4O2S/c1-13(2)8-21(11(13)22)6-4-5-18-10-9(14(15,16)17)7-19-12(20-10)24(3)23/h7H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyRIWUGFNIAVRBMA-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.90
Rot. Bonds6

About 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one

3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one (PubChem CID 155283083) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one
PubChem CID155283083
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC Name3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one
SMILESCS(=O)c1ncc(C(F)(F)F)c(NCCCN2CC(C)(C)C2=O)n1
InChIInChI=1S/C14H19F3N4O2S/c1-13(2)8-21(11(13)22)6-4-5-18-10-9(14(15,16)17)7-19-12(20-10)24(3)23/h7H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyRIWUGFNIAVRBMA-UHFFFAOYSA-N
XLogP1.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-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

Related Compounds

4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 142557253
4-(3-((2-(Methylsulfinyl)-5-(trifluoromethyl)pyrimidin-4-yl)amino)propyl)-1,4-oxazepan-5-one
CID 155269679
1-[3-[[2-Methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]piperidin-2-one
CID 155269792
1-[3-[[2-Methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azepan-2-one
CID 155270535
1-[3-[[2-Methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azepan-2-one
CID 155280229
3-[3-[[2-Methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,3-oxazinan-2-one
CID 155280232
1-[3-[[2-Methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]piperidin-2-one
CID 155280271
1-[3-[[2-Methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 155280273
1-[3-[[2-Methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 155280295
4-[3-[[2-Methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]morpholin-3-one
CID 155280298
4-[3-[[2-Methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-3-one
CID 155280316
6,6-Dimethyl-4-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
CID 155282915

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one?
The IUPAC name of 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one (CID 155283083) is 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one is CS(=O)c1ncc(C(F)(F)F)c(NCCCN2CC(C)(C)C2=O)n1.
What is the InChIKey of 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one?
The InChIKey is RIWUGFNIAVRBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c1-13(2)8-21(11(13)22)6-4-5-18-10-9(14(15,16)17)7-19-12(20-10)24(3)23/h7H,4-6,8H2,1-3H3,(H,18,19,20).
What are the key properties of 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one?
3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one has a molecular weight of 364.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-[[2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]azetidin-2-one is sourced from PubChem (CID 155283083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).