5-[[3,5-Dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine

Base Information

• Chemical Name: 5-[[3,5-Dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
• CAS No.: 172797-74-9
• Molecular Formula: C22H26N6O5
• NSC Number: 689720
• DSSTox Substance ID: DTXSID501123252
• Nikkaji Number: J701.089C
• ChEMBL ID: CHEMBL1990711

Synonyms:NSC689720;CHEMBL1990711;DTXSID501123252;KC-1303;NSC-689720;5-[[3,5-dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine;NCI60_032279;5-[[3,5-Dimethoxy-4-[3-[(4-nitrophenyl)amino]propoxy]phenyl]methyl]-2,4-pyrimidinediamine;172797-74-9;2,4-Diamino-5-(4-(3-(4-(hydroxy(oxido)amino)anilino)propoxy)-3,5-dimethoxybenzyl)pyrimidine

Chemical Property of 5-[[3,5-Dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidine-2,4-diamine

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 454.19646795
• Heavy Atom Count: 33
• Complexity: 574

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• Canonical SMILES: COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3N)N

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