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Chemical ID: 6472847
Chemical ID:
6472847
Name [?]:
1-(4-dimethylaminophenyl)-5-methyl-hexahydropyrimidine-2,4-dione
SMILES [?]:
CC1CN(C(=O)NC1=O)c2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C13H17N3O2/c1-9-8-16(13(18)14-12(9)17)11-6-4-10(5-7-11)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,12,14,11,15,3,2,13,10,8,5,7,16,4,9,6/E:(2,3)(4,5)(6,7)/rA:18cCCCNCONCOCCCCCCNCC/rB:s1;s2;s3;s4;d5;s5;s2s7;d8;s4;s10;d11;s12;d13;d10s14;s13;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N3O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.73074 |
Area: | 427.866 |
Solvation: | -2.96591 |
Coulombic: | -43.5285 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.05 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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