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1248236-11-4 | 4-Pyrimidinamine, 2-[(methylsulfonyl)methyl]-
CAS No: 1248236-11-4 Catalog No: AG000MS5 MDL No:MFCD16766566
Product Description
Catalog Number:
AG000MS5
Chemical Name:
4-Pyrimidinamine, 2-[(methylsulfonyl)methyl]-
CAS Number:
1248236-11-4
Molecular Formula:
C6H9N3O2S
Molecular Weight:
187.2196
MDL Number:
MFCD16766566
IUPAC Name:
2-(methylsulfonylmethyl)pyrimidin-4-amine
InChI:
InChI=1S/C6H9N3O2S/c1-12(10,11)4-6-8-3-2-5(7)9-6/h2-3H,4H2,1H3,(H2,7,8,9)
InChI Key:
REDGMYDLHUAHJG-UHFFFAOYSA-N
SMILES:
Nc1ccnc(n1)CS(=O)(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.217g/mol
Monoisotopic Mass:
187.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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