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Basic information
- CAS
127116-64-7- Standard SMILES
Nc1nc(N)c([N+](=O)[O-])c(OCc2ccccc2)n1- InChIKey
VLVHHGNPHBVEIG-UHFFFAOYSA-N- Molecular formula
- C11H11N5O3
- Average molar mass
- 261.24 g/mol
- Monoisotopic mass
- 261.08618921
Names & identifiers
- Preferred name
- 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
- IUPAC
- 5-nitro-6-phenylmethoxypyrimidine-2,4-diamine
Names & synonyms
127116-64-76-Benzyloxy-5-nitro-pyrimidine-2,4-diamineRefChem:3072746-(BENZYLOXY)-5-NITROPYRIMIDINE-2,4-DIAMINECHEMBL1214795-nitro-6-phenylmethoxypyrimidine-2,4-diamineSCHEMBL3309544DTXSID40431990VLVHHGNPHBVEIG-UHFFFAOYSA-NBDBM50062813PD1828412,4-Diamino-6-benzyloxy-5-nitropyrimidine
Show more names
2,4-diamino-(benzyloxy)-5-nitro-pyrimidine
Database identifiers
- CAS
127116-64-7- PubChem CID
- 9860003
- DTXSID
DTXSID40431990- ChEMBL
CHEMBL121479- Nikkaji
- J634.541G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
7 records
Compound notes
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