Basic information
- CAS
767342-31-4- Standard SMILES
c1ccc2cc(CNc3cncc(-c4cncnc4)c3)ccc2c1- InChIKey
DWQFOLAPGXZGKS-UHFFFAOYSA-N- Molecular formula
- C20H16N4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13749653
Names & identifiers
- Preferred name
- 3-Pyridinamine, N-(2-naphthalenylmethyl)-5-(5-pyrimidinyl)-
- IUPAC
- N-(naphthalen-2-ylmethyl)-5-pyrimidin-5-ylpyridin-3-amine
Names & synonyms
767342-31-4N-(NAPHTHALEN-2-YLMETHYL)-5-(PYRIMIDIN-5-YL)PYRIDIN-3-AMINEN-[(naphthalen-2-yl)methyl]-5-(pyrimidin-5-yl)pyridin-3-amine3-Pyridinamine, N-(2-naphthalenylmethyl)-5-(5-pyrimidinyl)-SCHEMBL4143226DTXSID70469640
Database identifiers
- CAS
767342-31-4- PubChem CID
- 11623778
- DTXSID
DTXSID70469640
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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