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Chemical ID: 5041702
Chemical ID:
5041702
Name [?]:
5-(dimethylaminomethylene)-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=CN(C)C)C(=O)NC2=O
InChi [?]:
InChI=1/C14H15N3O3/c1-9-5-4-6-10(7-9)17-13(19)11(8-16(2)3)12(18)15-14(17)20/h4-8H,1-3H3,(H,15,18,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,4,3,5,7,12,2,6,11,16,9,19,18,13,8,17,10,20/E:(2,3)/rA:20nCCCCCCCNCOCCNCCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;s13;s11;d16;s16;s8s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20837 |
Area: | 447.277 |
Solvation: | -2.97357 |
Coulombic: | -53.6728 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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