Basic information
- Standard SMILES
COc1ccc(Cc2cnc(N)nc2N)c2ccccc12.Cl- InChIKey
PADJUKOBFPMJDK-UHFFFAOYSA-N- Molecular formula
- C16H17ClN4O
- Average molar mass
- 316.78 g/mol
- Monoisotopic mass
- 316.1090889
Names & identifiers
- Preferred name
- 2,4-Diamino-5-(4-methoxy-1-naphthylmethyl)pyrimidine hydrochloride
- IUPAC
- 5-[(4-methoxynaphthalen-1-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
Names & synonyms
SCHEMBL10822627PADJUKOBFPMJDK-UHFFFAOYSA-N2,4-Diamino-5-(4-methoxy-1-naphthylmethyl)pyrimidine hydrochloride
Database identifiers
- PubChem CID
- 23310604
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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