Chemical ID: 7410683

Cc1nnc(s1)Sc2c(n(c(=O)[nH]c2=O)C)N
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

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