2-(benzyloxy)-5-bromo-N,N-dimethylpyrimidin-4-amine

2-(benzyloxy)-5-bromo-N,N-dimethylpyrimidin-4-amine

CAS: 205672-18-0

Formula: C13H14BrN3O

SMILES: CN(C)C1=NC(OCC2=CC=CC=C2)=NC=C1Br

IUPAC: 2-(benzyloxy)-5-bromo-N,N-dimethylpyrimidin-4-amine

InChI: InChI=1S/C13H14BrN3O/c1-17(2)12-11(14)8-15-13(16-12)18-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3

Composition: C (50.67%), H (4.58%), Br (25.93%), N (13.64%), O (5.19%)

Molar Mass: 308.179

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.032025
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XJFSSPYYQITUEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.11
Topological Polar Surface Area	38.25
Polarizability	28.26
Ring Count	2
Rotatable Bond Count	4

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