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Chemical ID: 5242310
Chemical ID:
5242310
Name [?]:
4-methylsulfinamoylaminopyrimidin-2-ol
SMILES [?]:
CNS(=O)Nc1ccnc(n1)O
InChi [?]:
InChI=1/C5H8N4O2S/c1-6-12(11)9-4-2-3-7-5(10)8-4/h2-3,6H,1H3,(H2,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,10,2,9,11,5,12,4,3/rA:12cCNSONCCCNCNO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H8N4O2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.92095 |
Area: | 343.745 |
Solvation: | -3.67267 |
Coulombic: | -50.8609 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.209 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -1.46 |
LogP (Chemaxon): | -0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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