5-(Naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
Basic information
- CAS
89445-77-2- Standard SMILES
Nc1ncc(Cc2ccc3ccccc3c2)c(N)n1- InChIKey
CLEQGRGCGNZHCE-UHFFFAOYSA-N- Molecular formula
- C15H14N4
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.12184646
Names & identifiers
- Preferred name
- 5-(Naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
- IUPAC
- 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
Names & synonyms
89445-77-25-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamineCHEMBL177125SCHEMBL9829477DTXSID60333664CLEQGRGCGNZHCE-UHFFFAOYSA-N2,4-diamino-5-(2-naphthylmethyl)pyrimidine5-(2-naphthylmethyl)pyrimidine-2,4-diamine5-Naphthalen-2-ylmethyl-pyrimidine-2,4-diamine5-[(Naphthalen-2-yl)methyl]pyrimidine-2,4-diamine
Database identifiers
- CAS
89445-77-2- PubChem CID
- 516669
- DTXSID
DTXSID60333664- ChEMBL
CHEMBL177125
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
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Related reactions
1 records
Compound notes
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