NJ6

2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Created:2023-01-17
Last modified:  2024-01-24

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count0
Bond Count60
Aromatic Bond Count10
2D diagram of NJ6

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Chemical Component Summary

Name2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Systematic Name (OpenEye OEToolkits)2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide
FormulaC20 H30 N6 O
Molecular Weight370.492
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN(C)C(=O)c1cc2cnc(N[CH]3CC[CH](N)CC3)nc2n1C4CCCC4
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)NC4CCC(CC4)N
Canonical SMILESCACTVS3.385 CN(C)C(=O)c1cc2cnc(N[C@H]3CC[C@H](N)CC3)nc2n1C4CCCC4
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)NC4CCC(CC4)N
InChIInChI1.06 InChI=1S/C20H30N6O/c1-25(2)19(27)17-11-13-12-22-20(23-15-9-7-14(21)8-10-15)24-18(13)26(17)16-5-3-4-6-16/h11-12,14-16H,3-10,21H2,1-2H3,(H,22,23,24)/t14-,15-
InChIKeyInChI1.06 HZJPJDOVXYTUTI-SHTZXODSSA-N