TW2

4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

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

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count16
2D diagram of TW2

Chemical Component Summary

Name4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Synonyms4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Systematic Name (OpenEye OEToolkits)4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
FormulaC15 H13 F N6
Molecular Weight296.302
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13
SMILESOpenEye OEToolkits2.0.7Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N
Canonical SMILESCACTVS3.385 Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13
Canonical SMILESOpenEye OEToolkits2.0.7 Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N
InChIInChI1.03 InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21)
InChIKeyInChI1.03 BJAJDULYKUREBF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155928382