Basic information
- Standard SMILES
Cc1nc(N)nc(NC2CCOC2)c1I- InChIKey
QZCJPBMKVKPCGF-UHFFFAOYSA-N- Molecular formula
- C9H13IN4O
- Average molar mass
- 320.13 g/mol
- Monoisotopic mass
- 320.01341
Names & identifiers
- Preferred name
- 5-Iodo-6-methyl-n4-(tetrahydrofuran-3-yl)pyrimidine-2,4-diamine
- IUPAC
- 5-iodo-6-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL3733137QZCJPBMKVKPCGF-UHFFFAOYSA-N5-iodo-6-methyl-n4-(tetrahydrofuran-3-yl)pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 59445286
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Related reactions
2 records
Compound notes
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