Basic information
- Standard SMILES
Nc1ncc(I)c(NC2CCCC2)n1- InChIKey
XHUFOBOIFMAKBW-UHFFFAOYSA-N- Molecular formula
- C9H13IN4
- Average molar mass
- 304.13 g/mol
Names & identifiers
- Preferred name
- N4-Cyclopentyl-5-iodo-2,4-pyrimidinediamine
- IUPAC
- 4-N-cyclopentyl-5-iodopyrimidine-2,4-diamine
Names & synonyms
N4-Cyclopentyl-5-iodo-2,4-pyrimidinediamine1169699-40-4N4-cyclopentyl-5-iodopyrimidine-2,4-diamineSCHEMBL1977604XHUFOBOIFMAKBW-UHFFFAOYSA-NDA-47606
Database identifiers
- PubChem CID
- 58299581
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
8 records
Compound notes
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