TVT

2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile

Created: 2021-01-14
Last modified:  2021-07-07

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count41
Aromatic Bond Count11
2D diagram of TVT
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Chemical Component Summary

Name2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile
Synonyms2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
Systematic Name (OpenEye OEToolkits)2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
FormulaC14 H16 F3 N7
Molecular Weight339.319
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
SMILESOpenEye OEToolkits2.0.7Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F
Canonical SMILESCACTVS3.385 CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F
InChIInChI1.03 InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
InChIKeyInChI1.03 ZPPUMAMZIMPJGP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3122113
PubChem 69093374
ChEMBL CHEMBL3122113