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Chemical ID: 4224677
Chemical ID:
4224677
Name [?]:
1,3-dimethyl-6-phenethylamino-pyrimidine-2,4-dione
SMILES [?]:
Cn1c(cc(=O)n(c1=O)C)NCCc2ccccc2
InChi [?]:
InChI=1/C14H17N3O2/c1-16-12(10-13(18)17(2)14(16)19)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,16,18,15,19,13,12,4,14,3,5,8,11,2,7,6,9/E:(4,5)(6,7)/rA:19nCNCCCONCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s3;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18751 |
Area: | 462.285 |
Solvation: | -2.36962 |
Coulombic: | -47.2765 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 259.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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