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1273687-35-6 | 2-Pyrimidinamine, 5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 1273687-35-6 Catalog No: AG000WZK MDL No:
Product Description
Catalog Number:
AG000WZK
Chemical Name:
2-Pyrimidinamine, 5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
1273687-35-6
Molecular Formula:
C13H14BrN3O2
Molecular Weight:
324.1732
IUPAC Name:
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
InChI:
InChI=1S/C13H14BrN3O2/c1-18-11-4-3-9(5-12(11)19-2)6-15-13-16-7-10(14)8-17-13/h3-5,7-8H,6H2,1-2H3,(H,15,16,17)
InChI Key:
HDJJAFCOPKPCLQ-UHFFFAOYSA-N
SMILES:
COc1cc(CNc2ncc(cn2)Br)ccc1OC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.178g/mol
Monoisotopic Mass:
323.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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