4-N-(2-methoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
Basic information
- CAS
672341-48-9- Standard SMILES
CNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2OC)n1- InChIKey
MYASQFNZDKGJRT-UHFFFAOYSA-N- Molecular formula
- C12H14N6O3
- Average molar mass
- 290.28 g/mol
- Monoisotopic mass
- 290.11273833
Names & identifiers
- Preferred name
- 4-N-(2-methoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
- IUPAC
- 4-N-(2-methoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
Names & synonyms
MLS0012134124-N-(2-methoxyphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamineSMR000540498N4-(2-methoxyphenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamineN~4~-(2-methoxyphenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine672341-48-9CHEMBL1538810BDBM69801cid_4359574ksc-8-247-15DTXSID701327953HMS2860J19
Show more names
KUC106530NN4-(2-methoxyphenyl)-N2-methyl-5-nitro-pyrimidine-2,4,6-triamineSTK556057AKOS002200284ST50138954[6-amino-2-(methylamino)-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine[6-amino-2-(methylamino)-5-nitropyrimidin-4-yl](2-methoxyphenyl)amine
Database identifiers
- CAS
672341-48-9- PubChem CID
- 4359574
- DTXSID
DTXSID701327953- ChEMBL
CHEMBL1538810
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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