2-bromo-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one

2-bromo-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one

CAS: 1119452-37-7

Formula: C12H17BrN4O

SMILES: CCC(Br)C(=O)N1CCN(CC1)C1=NC=CC=N1

IUPAC: 2-bromo-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one

InChI: InChI=1/C12H17BrN4O/c1-2-10(13)11(18)16-6-8-17(9-7-16)12-14-4-3-5-15-12/h3-5,10H,2,6-9H2,1H3

Composition: C (46.02%), H (5.47%), Br (25.51%), N (17.89%), O (5.11%)

Molar Mass: 313.199

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	312.058574
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FWRXAXJDIDKPIS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.17
Topological Polar Surface Area	49.33
Polarizability	27.68
Ring Count	2
Rotatable Bond Count	3

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