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Chemical ID: 7410683
Chemical ID:
7410683
Name [?]:
6-amino-1-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-2,4-dione
SMILES [?]:
Cc1nnc(s1)Sc2c(n(c(=O)[nH]c2=O)C)N
InChi [?]:
InChI=1/C8H9N5O2S2/c1-3-11-12-8(16-3)17-4-5(9)13(2)7(15)10-6(4)14/h9H2,1-2H3,(H,10,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,2,8,9,14,11,5,17,13,3,4,10,15,12,6,7/rA:17nCCNNCSSCCNCONCOCN/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;s10;d11;s11;s8s13;d14;s10;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9N5O2S2 |
All Atoms: | 26 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02674 |
Area: | 422.27 |
Solvation: | -2.53001 |
Coulombic: | -58.3129 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 271.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.2 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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