Chemical ID: 5703135

c1ccc(cc1)CCN2C(=O)C(=CNCCCn3ccnc3)C(=NC2=O)O
Chemical ID:
5703135
Name [?]:
6-hydroxy-5-(3-imidazol-1-ylpropylaminomethylene)-3-phenethyl-pyrimidine-2,4-dione
SMILES [?]:
c1ccc(cc1)CCN2C(=O)C(=CNCCCn3ccnc3)C(=NC2=O)O
InChi [?]:
InChI=1/C19H21N5O3/c25-17-16(13-20-8-4-10-23-12-9-21-14-23)18(26)24(19(27)22-17)11-7-15-5-2-1-3-6-15/h1-3,5-6,9,12-14,20H,4,7-8,10-11H2,(H,22,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,7,15,20,17,8,19,13,22,4,12,23,10,25,14,21,24,18,9,27,11,26/E:(2,3)(5,6)/rA:27nCCCCCCCCNCOCCNCCCNCCNCCNCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;w12;s13;s14;s15;s16;s17;s18;d19;s20;s18d21;s12;d23;s9s24;d25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4817
Area:614.43
Solvation:-3.8791
Coulombic:-73.5456
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:367.402
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.12
LogP (Chemaxon):0.56

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Descriptor Annotations

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