5-bromo-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-bromo-7H-pyrrolo[2,3-d]pyrimidin-2-amine

CAS: 1556457-89-6

Formula: C6H5BrN4

SMILES: NC1=NC=C2C(Br)=CNC2=N1

IUPAC: 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-2-amine

InChI: InChI=1S/C6H5BrN4/c7-4-2-9-5-3(4)1-10-6(8)11-5/h1-2H,(H3,8,9,10,11)

Composition: C (33.83%), H (2.37%), Br (37.51%), N (26.30%)

Molar Mass: 213.038

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	211.969759
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	TUJHMVADVRQFKX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.03
Topological Polar Surface Area	67.59
Polarizability	17.12
Ring Count	2
Rotatable Bond Count	0

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