Chemical ID: 4692279

CN(C)C=Cc1c(c(=O)ncn1CCc2ccc(c(c2)OC)OC)C#N
Chemical ID:
4692279
Name [?]:
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-dimethylaminovinyl)-4-oxo-pyrimidine-5-carbonitrile
SMILES [?]:
CN(C)C=Cc1c(c(=O)ncn1CCc2ccc(c(c2)OC)OC)C#N
InChi [?]:
InChI=1/C19H22N4O3/c1-22(2)9-8-16-15(12-20)19(24)21-13-23(16)10-7-14-5-6-17(25-3)18(11-14)26-4/h5-6,8-9,11,13H,7,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,24,22,16,17,14,5,4,13,20,25,11,15,7,6,18,19,8,26,10,2,12,9,23,21/E:(1,2)/rA:26nCNCCCCCCONCNCCCCCCCCOCOCCN/rB:s1;s2;s2;w4;s5;d6;s7;d8;s8;d10;s6s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s7;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N4O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.59579
Area:562.454
Solvation:-6.46555
Coulombic:-44.1939
Bond Count [?]
All:27
Single:19
Double:7
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:354.403
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.16
LogP (Chemaxon):1.62

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Descriptor Annotations

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