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2-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine

2-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine

CAS: 1419101-22-6

Formula: C11H16BrN3O

SMILES: CN1CCC(COC2=CN=C(Br)N=C2)CC1

IUPAC: 2-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine

InChI: InChI=1S/C11H16BrN3O/c1-15-4-2-9(3-5-15)8-16-10-6-13-11(12)14-7-10/h6-7,9H,2-5,8H2,1H3

Composition: C (46.17%), H (5.64%), Br (27.92%), N (14.68%), O (5.59%)

Molar Mass: 286.173

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 285.047675
Formal Charge 0
FSP3 0.64
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ODGGBWNOLRXLKZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.55
Topological Polar Surface Area 38.25
Polarizability 25.84
Ring Count 2
Rotatable Bond Count 3

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