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1381936-67-9 | 4-Pyrimidinamine, 2-bromo-5-methyl-
CAS No: 1381936-67-9 Catalog No: AG00186A MDL No:MFCD22379956
Product Description
Catalog Number:
AG00186A
Chemical Name:
4-Pyrimidinamine, 2-bromo-5-methyl-
CAS Number:
1381936-67-9
Molecular Formula:
C5H6BrN3
Molecular Weight:
188.0252
MDL Number:
MFCD22379956
IUPAC Name:
2-bromo-5-methylpyrimidin-4-amine
InChI:
InChI=1S/C5H6BrN3/c1-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChI Key:
QVVJCOFQMMQFLO-UHFFFAOYSA-N
SMILES:
Brc1ncc(c(n1)N)C
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:
1.2
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