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Chemical ID: 6292876
Chemical ID:
6292876
Name [?]:
2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CSc2nc(cc(n2)O)N)C
InChi [?]:
InChI=1/C14H16N4O2S/c1-8-3-9(2)5-10(4-8)16-13(20)7-21-14-17-11(15)6-12(19)18-14/h3-6H,7H2,1-2H3,(H,16,20)(H3,15,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,5,16,11,2,4,6,15,17,9,13,20,8,14,18,19,10,12/E:(1,2)(4,5)(8,9)/rA:21nCCCCCCCNCOCSCNCCCNONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1021 |
Area: | 513.824 |
Solvation: | -3.7435 |
Coulombic: | -63.8331 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.369 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.14 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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