8-Amino-7-(2-buten-1-YL)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
303973-87-7- Standard SMILES
CC=CCn1c(N)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
JTLJRBWKPRBBGP-UHFFFAOYSA-N- Molecular formula
- C10H13N5O2
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.10692467
Names & identifiers
- Preferred name
- 8-Amino-7-(2-buten-1-YL)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-amino-7-but-2-enyl-3-methylpurine-2,6-dione
- English name
- CHEMBRDG-BB 9004221
- Molecular formula
- C10H13N5O2
- Molecular weight
- 235.24
Names & synonyms
8-AMINO-7-(2-BUTEN-1-YL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE8-amino-7-but-2-enyl-3-methylpurine-2,6-dioneAC1MGS06Oprea1_301298DTXSID60388139DMA97387AKOS030253948DB-1866418-amino-7-but-2-enyl-3-methyl-purine-2,6-dione8-Amino-7-(but-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dioneCHEMBRDG-BB 90042211H-Purine-2,6-dione, 8-amino-7-(2-buten-1-yl)-3,7-dihydro-3-methyl-
Show more names
(E)-8-amino-7-(but-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione8-amino-7-(2-buten-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione(SALTDATA: FREE)
Database identifiers
- CAS
303973-87-7- PubChem CID
- 2990769
- DTXSID
DTXSID60388139
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 9.57 · 9.57±0.70(Predicted)
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Compound notes
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