Chemical ID: 4151606

Cc1cccc(c1)CSc2[nH]c(=O)cc(n2)C
Chemical ID:
4151606
Name [?]:
6-methyl-2-(m-tolylmethylsulfanyl)-3H-pyrimidin-4-one
SMILES [?]:
Cc1cccc(c1)CSc2[nH]c(=O)cc(n2)C
InChi [?]:
InChI=1/C13H14N2OS/c1-9-4-3-5-11(6-9)8-17-13-14-10(2)7-12(16)15-13/h3-7H,8H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,4,3,5,7,14,8,2,15,6,12,10,16,11,13,9/rA:17nCCCCCCCCSCNCOCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;d14;d10s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.11836
Area:442.425
Solvation:-1.94227
Coulombic:-27.5046
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.329
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.21
LogP (Chemaxon):3.11

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Descriptor Annotations

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