Chemical ID: 4911439

Cc1c(ccc2c1c(nc(n2)N)N)CNc3cc(c(c(c3)OC)OC)OC
Chemical ID:
4911439
Name [?]:
5-methyl-6-[(3,4,5-trimethoxyphenyl)aminomethyl]quinazoline-2,4-diamine
SMILES [?]:
Cc1c(ccc2c1c(nc(n2)N)N)CNc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,27,25,4,5,21,17,14,2,3,16,6,20,18,7,19,8,10,13,12,15,11,9,22,26,24/E:(2,3)(7,8)(14,15)(25,26)/rA:27nCCCCCCCCNCNNNCNCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s10;s8;s3;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.9056
Area:575.166
Solvation:-6.47355
Coulombic:-77.6378
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.418
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:2.04
LogP (Chemaxon):2.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue