N-(5-bromopyrimidin-2-yl)acetamide

N-(5-bromopyrimidin-2-yl)acetamide

CAS: 180530-15-8

Formula: C6H6BrN3O

SMILES: CC(=O)NC1=NC=C(Br)C=N1

IUPAC: N-(5-bromopyrimidin-2-yl)acetamide

InChI: InChI=1S/C6H6BrN3O/c1-4(11)10-6-8-2-5(7)3-9-6/h2-3H,1H3,(H,8,9,10,11)

Composition: C (33.36%), H (2.80%), Br (36.99%), N (19.45%), O (7.41%)

Molar Mass: 216.038

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.969425
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LKFUSWVVQGECDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.15
Topological Polar Surface Area	54.88
Polarizability	16.47
Ring Count	1
Rotatable Bond Count	1

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