2,4-Diamino-6-[2-[3,4-methylenedioxyphenyl]vinyl]pteridine
Basic information
- CAS
40110-63-2- Standard SMILES
Nc1nc(N)c2nc(/C=C/c3ccc4c(c3)OCO4)cnc2n1- InChIKey
VWHZHTYRPRNUHS-HNQUOIGGSA-N- Molecular formula
- C15H12N6O2
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.10217365
Names & identifiers
- Preferred name
- 2,4-Diamino-6-[2-[3,4-methylenedioxyphenyl]vinyl]pteridine
- IUPAC
- 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine
Names & synonyms
NSC26611740110-63-2DTXSID60418829VWHZHTYRPRNUHS-HNQUOIGGSA-N2,4-Diamino-6-[2-[3,4-methylenedioxyphenyl]vinyl]pteridineNSC-2661176-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-2,4-pteridinediamine #6-[(E)-2-(2H-1,3-Benzodioxol-5-yl)ethen-1-yl]pteridine-2,4-diamine
Database identifiers
- CAS
40110-63-2- PubChem CID
- 5378688
- DTXSID
DTXSID60418829
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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