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Chemical ID: 6440065
Chemical ID:
6440065
Name [?]:
6-(3,4-dimethylphenyl)amino-1,3-dimethyl-pyrimidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1C)Nc2cc(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C14H17N3O2/c1-9-5-6-11(7-10(9)2)15-12-8-13(18)17(4)14(19)16(12)3/h5-8,15H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,18,19,3,4,6,11,2,7,5,10,12,15,9,17,14,13,16/rA:19nCCCCCCCCNCCCONCONCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;d15;s10s15;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01923 |
Area: | 444.5 |
Solvation: | -2.09326 |
Coulombic: | -45.7529 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 259.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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