Tert-butyl 3-((6-(dibenzylamino)-5-nitropyrimidin-4-YL)amino)azetidine-1-carboxylate

HCID 89455071
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])C1
InChIKey
VMACGHRTFKYXBB-UHFFFAOYSA-N
Molecular formula
C26H30N6O4
Average molar mass
490.6 g/mol
Monoisotopic mass
490.23285346

Names & identifiers

Preferred name
Tert-butyl 3-((6-(dibenzylamino)-5-nitropyrimidin-4-YL)amino)azetidine-1-carboxylate
IUPAC
tert-butyl 3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]azetidine-1-carboxylate

Names & synonyms

SCHEMBL14797914TERT-BUTYL 3-((6-(DIBENZYLAMINO)-5-NITROPYRIMIDIN-4-YL)AMINO)AZETIDINE-1-CARBOXYLATE1351636-67-3C92608

Database identifiers

PubChem CID
89455071

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
116 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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