Basic information
- CAS
674350-65-3- Standard SMILES
CCC(C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2OC)n1- InChIKey
WBCAUQJLDJNULE-UHFFFAOYSA-N- Molecular formula
- C15H20N6O3
- Average molar mass
- 332.36 g/mol
- Monoisotopic mass
- 332.15968852
Names & identifiers
- Preferred name
- 2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
- IUPAC
- 2-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Names & synonyms
MLS0007700852-N-butan-2-yl-4-N-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamineSMR000434817N-sec-Butyl-N'-(2-methoxy-phenyl)-5-nitro-pyrimidine-2,4,6-triamineN~2~-(butan-2-yl)-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine674350-65-3CHEMBL1343773BDBM69506cid_3786263DTXSID201326336STK555669AKOS001423731
Show more names
AKOS016305643ST50138955Z295462962[4-amino-5-nitro-6-(o-anisidino)pyrimidin-2-yl]-sec-butyl-amineN2-(sec-butyl)-N4-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamineN2-butan-2-yl-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamineN2-butan-2-yl-N4-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine{6-amino-2-[(methylpropyl)amino]-5-nitropyrimidin-4-yl}(2-methoxyphenyl)amine
Database identifiers
- CAS
674350-65-3- PubChem CID
- 3786263
- DTXSID
DTXSID201326336- ChEMBL
CHEMBL1343773
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility2.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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