Basic information
- CAS
21883-07-8- Standard SMILES
COC1=C(CNc2ncnc3nc[nH]c23)CC=CC1- InChIKey
KBRYNMAOXOFGDY-UHFFFAOYSA-N- Molecular formula
- C13H15N5O
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.12766012
Names & identifiers
- Preferred name
- N-[(2-methoxycyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine
- IUPAC
- N-[(2-methoxycyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine
Names & synonyms
21883-07-8N-[(2-methoxycyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amineDTXSID70398325NSC145033NSC-145033
Database identifiers
- CAS
21883-07-8- PubChem CID
- 3974044
- DTXSID
DTXSID70398325
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…