Basic information
- CAS
64920-88-3- Standard SMILES
Nc1nc(N)c2nc(CNc3ccccc3)cnc2n1- InChIKey
KWBYHDAETXMHLI-UHFFFAOYSA-N- Molecular formula
- C13H13N7
- Average molar mass
- 267.29 g/mol
- Monoisotopic mass
- 267.12324344
Names & identifiers
- Preferred name
- 2,4-Pteridinediamine, 6-((phenylamino)methyl)-
- IUPAC
- 6-(anilinomethyl)pteridine-2,4-diamine
Names & synonyms
2,4-Pteridinediamine, 6-((phenylamino)methyl)-L0OJD6HGW46-(anilinomethyl)pteridine-2,4-diamine64920-88-3UNII-L0OJD6HGW4NSC 235776((2,4-diaminopteridin-6-yl)methyl)phenylamine6-((Phenylamino)methyl)-2,4-pteridinediamineNSC235776[(2,4-diaminopteridin-6-yl)methyl]phenylamine2,4-Pteridinediamine, 6-[(phenylamino)methyl]-NSC-235776
Show more names
SCHEMBL11634264DTXSID20215230
Database identifiers
- CAS
64920-88-3- PubChem CID
- 428342
- DTXSID
DTXSID20215230- UNII
- L0OJD6HGW4
- Nikkaji
- J419.873E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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