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Chemical ID: 5480765
Chemical ID:
5480765
Name [?]:
5,6-dimethyl-2-methylsulfanyl-3H-pyrimidin-4-one
SMILES [?]:
Cc1c(nc([nH]c1=O)SC)C
InChi [?]:
InChI=1/C7H10N2OS/c1-4-5(2)8-7(11-3)9-6(4)10/h1-3H3,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,11,10,2,3,7,5,4,6,8,9/rA:11nCCCNCNCOSCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s5;s9;s3;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2OS |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75011 |
Area: | 328.212 |
Solvation: | -1.45519 |
Coulombic: | -26.2799 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.48 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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