5-(Naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
Basic information
- CAS
93734-31-7- Standard SMILES
Nc1ncc(Cc2cccc3ccccc23)c(N)n1- InChIKey
HKCKBLDMOOFVQE-UHFFFAOYSA-N- Molecular formula
- C15H14N4
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.12184646
Names & identifiers
- Preferred name
- 5-(Naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
- IUPAC
- 5-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
Names & synonyms
5-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine93734-31-75-Naphthalen-1-ylmethyl-pyrimidine-2,4-diamine5-[(naphthalen-1-yl)methyl]pyrimidine-2,4-diamineCHEMBL366989SCHEMBL10822695DTXSID603327535-(1-naphthylmethyl)pyrimidine-2,4-diamine
Database identifiers
- CAS
93734-31-7- PubChem CID
- 463732
- DTXSID
DTXSID60332753- ChEMBL
CHEMBL366989- Nikkaji
- J2.508.724K
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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