n6-(2-Chlorobenzyl)quinazoline-2,4,6-triamine
Basic information
- CAS
13953-73-6- Standard SMILES
Nc1nc(N)c2cc(NCc3ccccc3Cl)ccc2n1- InChIKey
WYMIFFJCHDHZJX-UHFFFAOYSA-N- Molecular formula
- C15H14ClN5
- Average molar mass
- 299.76 g/mol
- Monoisotopic mass
- 299.0937732
Names & identifiers
- Preferred name
- n6-(2-Chlorobenzyl)quinazoline-2,4,6-triamine
- IUPAC
- 6-N-[(2-chlorophenyl)methyl]quinazoline-2,4,6-triamine
Names & synonyms
n6-(2-chlorobenzyl)quinazoline-2,4,6-triamine13953-73-6DTXSID70292137RefChem:365190DTXCID60243279NSC80445N6-[(2-chlorophenyl)methyl]quinazoline-2,4,6-triamineNSC-80445DS-011961N~6~-[(2-Chlorophenyl)methyl]quinazoline-2,4,6-triamine2,6-Quinazolinetriamine, N(6)-[(2-chlorophenyl)methyl]-, hydrate (3:1)
Database identifiers
- CAS
13953-73-6- PubChem CID
- 255182
- DTXSID
DTXSID70292137
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
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Compound notes
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