2,4-Quinazolinediamine, 6-(2-naphthalenylthio)-
Basic information
- CAS
51124-09-5- Standard SMILES
Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1- InChIKey
PFAYJJZRASFRBB-UHFFFAOYSA-N- Molecular formula
- C18H14N4S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.09391745
Names & identifiers
- Preferred name
- 2,4-Quinazolinediamine, 6-(2-naphthalenylthio)-
- IUPAC
- 6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine
Names & synonyms
51124-09-5TCMDC-1381012,4-Quinazolinediamine, 6-(2-naphthalenylthio)-2,4-diamino-6-(naphth-2-ylthio)quinazolineSMR0004498526-naphthalen-2-ylsulfanylquinazoline-2,4-diamineNCI60_002590CHEMBL7050SCHEMBL8390965BDBM50658DTXSID00398338cid_16682542
Show more names
PFAYJJZRASFRBB-UHFFFAOYSA-N6-(Naphthalen-2-ylthio)quinazoline-2,4-diamine6-[(Naphthalen-2-yl)sulfanyl]quinazoline-2,4-diamineethanol;6-(2-naphthalenylthio)quinazoline-2,4-diamineethanol;6-naphthalen-2-ylsulfanylquinazoline-2,4-diamine[2-amino-6-(2-naphthylthio)quinazolin-4-yl]amine;ethanol
Database identifiers
- CAS
51124-09-5- PubChem CID
- 3976284
- DTXSID
DTXSID00398338- ChEMBL
CHEMBL7050
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
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Related reactions
4 records
Compound notes
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