2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C14H19F3N4O — CID 91631570

IUPAC2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H19F3N4O/c1-13(2,3)12(22)21-6-4-20(5-7-21)11-8-10(14(15,16)17)18-9-19-11/h8-9H,4-7H2,1-3H3
InChIKeyMTYQKZZAOWFDKK-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.19
Rot. Bonds1

About 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 91631570) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID91631570
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H19F3N4O/c1-13(2,3)12(22)21-6-4-20(5-7-21)11-8-10(14(15,16)17)18-9-19-11/h8-9H,4-7H2,1-3H3
InChIKeyMTYQKZZAOWFDKK-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

A-690344
CID 9806160
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpyridin-2(1H)-one
CID 15949564
3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
4-tert-butyl-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)pyrimidin-2(1H)-one
CID 9983212
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(trifluoromethyl)pyrimidin-2(1H)-one
CID 9983667
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 10027629
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)pyrimidin-2(1H)-one
CID 10252580
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpyrimidin-2(1H)-one
CID 10253333
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)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 10457955
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-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(piperidin-1-yl)pyrimidin-2(1H)-one
CID 44406886

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 91631570) is 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is MTYQKZZAOWFDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-13(2,3)12(22)21-6-4-20(5-7-21)11-8-10(14(15,16)17)18-9-19-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 316.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 91631570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).