Basic information
- CAS
24346-10-9- Standard SMILES
O=c1cc(NCc2cccc3ccc(Cl)cc23)[nH]c(=O)[nH]1- InChIKey
XDXFNYYDFSXVOH-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O2
- Average molar mass
- 301.73 g/mol
- Monoisotopic mass
- 301.0618043
Names & identifiers
- Preferred name
- 6-[(7-chloronaphthalen-1-yl)methylamino]-1H-pyrimidine-2,4-dione
- IUPAC
- 6-[(7-chloronaphthalen-1-yl)methylamino]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21042124346-10-9DTXSID20308939NSC-2104216-{[(7-Chloronaphthalen-1-yl)methyl]amino}pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
24346-10-9- PubChem CID
- 308595
- DTXSID
DTXSID20308939
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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