Quinazoline, 2,4-diamino-6-((3,4-dichlorobenzyl)methylamino)-, hydrochloride, hemihydrate
Basic information
- CAS
40066-23-7- Standard SMILES
CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nc(N)nc(N)c2c1.Cl- InChIKey
AACHVAZSRUTBPT-UHFFFAOYSA-N- Molecular formula
- C16H16Cl3N5
- Average molar mass
- 384.7 g/mol
- Monoisotopic mass
- 383.047129
Names & identifiers
- Preferred name
- Quinazoline, 2,4-diamino-6-((3,4-dichlorobenzyl)methylamino)-, hydrochloride, hemihydrate
- IUPAC
- 6-N-[(3,4-dichlorophenyl)methyl]-6-N-methylquinazoline-2,4,6-triamine;hydrochloride
Names & synonyms
2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate40066-23-72,4,6-Quinazolinetriamine, N6-((3,4-dichlorophenyl)methyl)-N6-methyl-, monohydrochlorideQuinazoline, 2,4-diamino-6-((3,4-dichlorobenzyl)methylamino)-, hydrochloride, hemihydrateRefChem:378357CHEMBL3272736DTXSID70960521N-[(3,4-Dichlorophenyl)methyl]-2,4-diimino-N-methyl-1,2,3,4-tetrahydroquinazolin-6-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
40066-23-7- PubChem CID
- 218052
- DTXSID
DTXSID70960521- ChEMBL
CHEMBL3272736
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…