Chemical ID: 4224677

Cn1c(cc(=O)n(c1=O)C)NCCc2ccccc2
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

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