Basic information
- Standard SMILES
N#Cc1c(NCCNc2ccc([N+](=O)[O-])c(N)c2)nc(N)nc1-c1ccco1- InChIKey
JMGDAILGEVPEQV-UHFFFAOYSA-N- Molecular formula
- C17H16N8O3
- Average molar mass
- 380.4 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-[2-(3-amino-4-nitro-phenylamino)-ethylamino]-6-furan-2-yl-pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-[2-(3-amino-4-nitroanilino)ethylamino]-6-(furan-2-yl)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6446208JMGDAILGEVPEQV-UHFFFAOYSA-N2-Amino-4-[2-(3-amino-4-nitro-phenylamino)-ethylamino]-6-furan-2-yl-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18507340
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
2 records
Compound notes
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