2,4-Quinazolinediamine, 5-(methylthio)-
Basic information
- CAS
119584-80-4- Standard SMILES
CSc1cccc2nc(N)nc(N)c12- InChIKey
YCMSYAILAVGTLT-UHFFFAOYSA-N- Molecular formula
- C9H10N4S
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.06261751
Names & identifiers
- Preferred name
- 2,4-Quinazolinediamine, 5-(methylthio)-
- IUPAC
- 5-methylsulfanylquinazoline-2,4-diamine
Names & synonyms
119584-80-45-(Methylthio)quinazoline-2,4-diamine2,4-Quinazolinediamine, 5-(methylthio)-5-(METHYLSULFANYL)QUINAZOLINE-2,4-DIAMINE5-methylsulfanylquinazoline-2,4-diamineCHEMBL139363DTXSID90152507
Database identifiers
- CAS
119584-80-4- PubChem CID
- 456249
- DTXSID
DTXSID90152507- ChEMBL
CHEMBL139363- Nikkaji
- J272.210K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
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Compound notes
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