Basic information
- CAS
43005-09-0- Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc2c1OCO2- InChIKey
DGKKGLAEGKBLCW-UHFFFAOYSA-N- Molecular formula
- C13H14N4O3
- Average molar mass
- 274.28 g/mol
- Monoisotopic mass
- 274.10659032
Names & identifiers
- Preferred name
- 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine
- IUPAC
- 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine
Names & synonyms
UNII-E0R317HI4J2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidineE0R317HI4J43005-09-02,4-Pyrimidinediamine, 5-((7-methoxy-1,3-benzodioxol-5-yl)methyl)-DTXSID60195628RefChem:82245DTXCID00118119SCHEMBL11615172DGKKGLAEGKBLCW-UHFFFAOYSA-N2,4-Diamino 5-[3-methoxy-4,5-methylenedioxybenzyl]pyrimidineQ27276716
Show more names
5-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-2,4-pyrimidinediamine #5-[(7-Methoxy-2H-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine
Database identifiers
- CAS
43005-09-0- PubChem CID
- 623704
- DTXSID
DTXSID60195628- UNII
- E0R317HI4J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
LogP1.19
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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