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17321-93-6 | 2-Pyrimidinamine, 5-bromo-4-methyl-
CAS No: 17321-93-6 Catalog No: AG001YPR MDL No:MFCD00094469
Product Description
Catalog Number:
AG001YPR
Chemical Name:
2-Pyrimidinamine, 5-bromo-4-methyl-
CAS Number:
17321-93-6
Molecular Formula:
C5H6BrN3
Molecular Weight:
188.0252
MDL Number:
MFCD00094469
IUPAC Name:
5-bromo-4-methylpyrimidin-2-amine
InChI:
InChI=1S/C5H6BrN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9)
InChI Key:
LPQVTZJEIXYDQA-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)C)Br
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.028g/mol
Monoisotopic Mass:
186.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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