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2,4-diaminoquinazoline,5-bromo

2,4-diaminoquinazoline,5-bromo

CAS: 119584-75-7

Formula: C8H7BrN4

SMILES: NC1=NC2=CC=CC(Br)=C2C(N)=N1

IUPAC: 5-bromoquinazoline-2,4-diamine

InChI: InChI=1S/C8H7BrN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)

Composition: C (40.19%), H (2.95%), Br (33.42%), N (23.44%)

Molar Mass: 239.076

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names 2,4-diaminoquinazoline,5-bromo
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.985409
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NPAVQJGHQXYNDS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.08
Topological Polar Surface Area 77.82
Polarizability 21.08
Ring Count 2
Rotatable Bond Count 0

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