2,4-Pteridinediamine, 6-((4-methylphenylthio)methyl)
Basic information
- CAS
174654-74-1- Standard SMILES
Cc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1- InChIKey
MWVFUMVQSGZZEM-UHFFFAOYSA-N- Molecular formula
- C14H14N6S
- Average molar mass
- 298.37 g/mol
- Monoisotopic mass
- 298.10006565
Names & identifiers
- Preferred name
- 2,4-Pteridinediamine, 6-((4-methylphenylthio)methyl)
- IUPAC
- 6-[(4-methylphenyl)sulfanylmethyl]pteridine-2,4-diamine
Names & synonyms
2,4-Pteridinediamine, 6-((4-methylphenylthio)methyl)174654-74-1CHEMBL234252,4-Pteridinediamine, 6-[(4-methylphenylthio)methyl]DTXSID60169864BDBM500504086-p-Tolylsulfanylmethyl-pteridine-2,4-diamine6-(p-tolylsulfanylmethyl)pteridine-2,4-diamine6-{[(4-METHYLPHENYL)SULFANYL]METHYL}PTERIDINE-2,4-DIAMINE
Database identifiers
- CAS
174654-74-1- PubChem CID
- 464020
- DTXSID
DTXSID60169864- ChEMBL
CHEMBL23425
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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