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Chemical ID: 4166459
Chemical ID:
4166459
Name [?]:
1,3-dimethyl-6-(m-tolylamino)pyrimidine-2,4-dione
SMILES [?]:
Cc1cccc(c1)Nc2cc(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C13H15N3O2/c1-9-5-4-6-10(7-9)14-11-8-12(17)16(3)13(18)15(11)2/h4-8,14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,4,3,5,7,10,2,6,9,11,14,8,16,13,12,15/rA:18nCCCCCCCNCCCONCONCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s11;s13;d14;s9s14;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47757 |
Area: | 423.149 |
Solvation: | -2.10114 |
Coulombic: | -45.9981 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.277 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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