4-N-(2-methoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
Basic information
- CAS
672331-22-5- Standard SMILES
COCCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2OC)n1- InChIKey
NPBWOKBRRUWKFY-UHFFFAOYSA-N- Molecular formula
- C15H20N6O4
- Average molar mass
- 348.36 g/mol
- Monoisotopic mass
- 348.15460314
Names & identifiers
- Preferred name
- 4-N-(2-methoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
- IUPAC
- 4-N-(2-methoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
Names & synonyms
MLS0003327684-N-(2-methoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamineSMR000436169N4-(2-methoxyphenyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamineN'-(2-Methoxy-phenyl)-N-(3-methoxy-propyl)-5-nitro-pyrimidine-2,4,6-triamineN~4~-(2-methoxyphenyl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine672331-22-5CHEMBL1320014BDBM69432cid_3937798DTXSID601326340STK889581
Show more names
AKOS001449378N4-(2-methoxyphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamineST50138957Z314611938[6-amino-2-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine{6-amino-2-[(3-methoxypropyl)amino]-5-nitropyrimidin-4-yl}(2-methoxyphenyl)ami ne
Database identifiers
- CAS
672331-22-5- PubChem CID
- 3937798
- DTXSID
DTXSID601326340- ChEMBL
CHEMBL1320014
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
Solubility1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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