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885267-37-8 | 5-Bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
CAS No: 885267-37-8 Catalog No: AG0048F6 MDL No:MFCD03646021
Product Description
Catalog Number:
AG0048F6
Chemical Name:
5-Bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
CAS Number:
885267-37-8
Molecular Formula:
C8H12BrN3O2
Molecular Weight:
262.1038
MDL Number:
MFCD03646021
IUPAC Name:
5-bromo-N-(2,2-dimethoxyethyl)pyrimidin-2-amine
InChI:
InChI=1S/C8H12BrN3O2/c1-13-7(14-2)5-12-8-10-3-6(9)4-11-8/h3-4,7H,5H2,1-2H3,(H,10,11,12)
InChI Key:
PVJJQCGQWHXHNS-UHFFFAOYSA-N
SMILES:
COC(CNc1ncc(cn1)Br)OC
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.107g/mol
Monoisotopic Mass:
261.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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