5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine

5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine

CAS: 141302-36-5

Formula: C9H13BrN4

SMILES: CN1CCN(CC1)C1=NC=C(Br)C=N1

IUPAC: 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine

InChI: InChI=1S/C9H13BrN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3

Composition: C (42.04%), H (5.10%), Br (31.07%), N (21.79%)

Molar Mass: 257.135

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.032359
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PRYPBGVWKANVLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.77
Topological Polar Surface Area	32.26
Polarizability	22.53
Ring Count	2
Rotatable Bond Count	1

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