3YT

2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide


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Chemical Component Summary

Name2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide
Identifiers2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[[3-(1,2,3-triazol-2-yl)phenyl]amino]pyrimidine-5-carboxamide
FormulaC19 H23 N9 O
Molecular Weight393.446
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N
InChIInChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
InChIKeyTXGKRVFSSHPBAJ-JKSUJKDBSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count2
Bond Count55
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL2177736
PubChem 44462758
ChEMBL CHEMBL2177736