6-[(3,4-dichloro-N-methylanilino)methyl]quinazoline-2,4-diamine

HCID 317599

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Basic information

CAS: 69827-77-6
Standard SMILES: CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1
InChIKey: WBVZKLOYKPXFFQ-UHFFFAOYSA-N
Molecular formula: C16H15Cl2N5
Average molar mass: 348.2 g/mol
Monoisotopic mass: 347.0704509

Names & identifiers

Preferred name: 6-[(3,4-dichloro-N-methylanilino)methyl]quinazoline-2,4-diamine
IUPAC: 6-[(3,4-dichloro-N-methylanilino)methyl]quinazoline-2,4-diamine

Names & synonyms

69827-77-6NSC2504156-[(3,4-dichloro-N-methylanilino)methyl]quinazoline-2,4-diamineCHEMBL3228306DTXSID30312123NSC-250415DS-0036542,4-QUINAZOLINEDIAMINE,6-[[(3,4-DICHLOROPHENYL)METHYLAMINO]METHYL]-6-{[(3,4-DICHLOROPHENYL)(METHYL)AMINO]METHYL}QUINAZOLINE-2,4-DIAMINE

Database identifiers

CAS: 69827-77-6
PubChem CID: 317599
DTXSID: DTXSID30312123
ChEMBL: CHEMBL3228306

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 399

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