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Chemical ID: 5233979
Chemical ID:
5233979
Name [?]:
5-butyl-1-cyclohexyl-5-(dimethylaminomethyl)-3-methyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCCCC1(C(=O)N(C(=O)N(C1=O)C2CCCCC2)C)CN(C)C
InChi [?]:
InChI=1/C18H31N3O3/c1-5-6-12-18(13-19(2)3)15(22)20(4)17(24)21(16(18)23)14-10-8-7-9-11-14/h14H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,20,2,3,17,16,18,15,19,4,21,14,6,12,9,5,22,8,11,7,13,10/E:(2,3)(8,9)(10,11)/rA:24cCCCCCCONCONCOCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s9;s5s11;d12;s11;s14;s15;s16;s17;s14s18;s8;s5;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8971 |
Area: | 522.519 |
Solvation: | -2.16593 |
Coulombic: | -50.4561 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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