4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one

C13H16F3N5O — CID 146077873

IUPAC4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one
SMILESCc1nc(N2CC(N3CCNC(=O)C3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5O/c1-8-18-10(13(14,15)16)4-11(19-8)21-5-9(6-21)20-3-2-17-12(22)7-20/h4,9H,2-3,5-7H2,1H3,(H,17,22)
InChIKeyJBFKYPBOHZSTLK-UHFFFAOYSA-N
MW315.30 g/mol
LogP0.42
Rot. Bonds2

About 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one

4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one (PubChem CID 146077873) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one
PubChem CID146077873
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one
SMILESCc1nc(N2CC(N3CCNC(=O)C3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5O/c1-8-18-10(13(14,15)16)4-11(19-8)21-5-9(6-21)20-3-2-17-12(22)7-20/h4,9H,2-3,5-7H2,1H3,(H,17,22)
InChIKeyJBFKYPBOHZSTLK-UHFFFAOYSA-N
XLogP0.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-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

3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one
CID 10390058
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxypyrimidin-2(1H)-one
CID 10456628
4-(azetidin-1-yl)-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)pyrimidin-2(1H)-one
CID 44406885
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpiperazine-1-carboxamide
CID 73669717
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-ethylpiperazine-1-carboxamide
CID 73669718
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(cyclopropylmethyl)piperazine-1-carboxamide
CID 73669893
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-cyclohexylpiperazine-1-carboxamide
CID 73669894
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-[1,4'-bipiperidine]-1'-carboxamide
CID 73670059
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-cyclopropylpiperazine-1-carboxamide
CID 73671524

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one?
The IUPAC name of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one (CID 146077873) is 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one?
The canonical SMILES for 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one is Cc1nc(N2CC(N3CCNC(=O)C3)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one?
The InChIKey is JBFKYPBOHZSTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-8-18-10(13(14,15)16)4-11(19-8)21-5-9(6-21)20-3-2-17-12(22)7-20/h4,9H,2-3,5-7H2,1H3,(H,17,22).
What are the key properties of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one?
4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one has a molecular weight of 315.30 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-2-one is sourced from PubChem (CID 146077873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).