4-Methoxy-8-(ribofuranosylamino)pyrimido(5,4-d)pyrimidine
Basic information
- CAS
118515-48-3- Standard SMILES
COc1ncnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ncnc12- InChIKey
GJKFEQPZRZBOJH-JJNLEZRASA-N- Molecular formula
- C12H15N5O5
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.1073186
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Methoxy-8-(ribofuranosylamino)pyrimido(5,4-d)pyrimidine
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(4-methoxypyrimido[5,4-d]pyrimidin-8-yl)amino]oxolane-3,4-diol
Names & synonyms
MRPP4-Methoxy-8-(ribofuranosylamino)pyrimido(5,4-d)pyrimidineRefChem:99609118515-48-3(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-((8-methoxypyrimido[5,4-d]pyrimidin-4-yl)amino)tetrahydrofuran-3,4-diolNSC 620635SCHEMBL6039895CHEMBL2092799SCHEMBL29466237
Database identifiers
- CAS
118515-48-3- PubChem CID
- 73529
- ChEMBL
CHEMBL2092799- Nikkaji
- J622.126B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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