Basic information
- CAS
49647-21-4- Standard SMILES
Nc1nc(N)c2nc(Cc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)nc2n1- InChIKey
SRSPREXFDZFYCH-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N6
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.0813499
Names & identifiers
- Preferred name
- 6,7-Bis((4-chlorophenyl)methyl)-2,4-pteridinediamine
- IUPAC
- 6,7-bis[(4-chlorophenyl)methyl]pteridine-2,4-diamine
Names & synonyms
49647-21-46,7-Bis[(4-chlorophenyl)methyl]-2,4-pteridinediamine6,7-Bis((4-chlorophenyl)methyl)-2,4-pteridinediamineRefChem:3061046,7-bis[(4-chlorophenyl)methyl]pteridine-2,4-diaminePT301CHEMBL1213269SCHEMBL29352798SRSPREXFDZFYCH-UHFFFAOYSA-NDTXSID0012190342,4-Diamino-6,7-bis[4-chlorobenzyl]pteridine6,7-Bis(4-chlorobenzyl)-2,4-pteridinediamine #
Show more names
2,4-Pteridinediamine, 6,7-bis[(4-chlorophenyl)methyl]-
Database identifiers
- CAS
49647-21-4- PubChem CID
- 457364
- DTXSID
DTXSID001219034- ChEMBL
CHEMBL1213269
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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