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1005-39-6 | 4,6-Pyrimidinediamine, 2-(methylthio)-
CAS No: 1005-39-6 Catalog No: AG00025M MDL No:MFCD00023241
Product Description
Catalog Number:
AG00025M
Chemical Name:
4,6-Pyrimidinediamine, 2-(methylthio)-
CAS Number:
1005-39-6
Molecular Formula:
C5H8N4S
Molecular Weight:
156.2088
MDL Number:
MFCD00023241
IUPAC Name:
2-methylsulfanylpyrimidine-4,6-diamine
InChI:
InChI=1S/C5H8N4S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H4,6,7,8,9)
InChI Key:
AHAIUNAIAHSWPG-UHFFFAOYSA-N
SMILES:
CSc1nc(N)cc(n1)N
EC Number:
213-735-9
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.207g/mol
Monoisotopic Mass:
156.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis, Spectroscopic, and Anticancerous Properties of Mixed Ligand Palladium(II) and Silver(I) Complexes with 4,6-Diamino-5-hydroxy-2-mercaptopyrimidine and 2,2'-Bipyridyl. | Metal-based drugs 20080101 |
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