Chemical ID: 4702028

Cc1cc(nc(n1)NCCc2c[nH]c3c2cccc3)C
Chemical ID:
4702028
Name [?]:
N-[2-(1H-indol-3-yl)ethyl]-4,6-dimethyl-pyrimidin-2-amine
SMILES [?]:
Cc1cc(nc(n1)NCCc2c[nH]c3c2cccc3)C
InChi [?]:
InChI=1/C16H18N4/c1-11-9-12(2)20-16(19-11)17-8-7-13-10-18-15-6-4-3-5-14(13)15/h3-6,9-10,18H,7-8H2,1-2H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,17,18,16,19,10,9,3,12,2,4,11,15,14,6,8,13,7,5/E:(1,2)(11,12)(19,20)/rA:20nCCCCNCNNCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.87519
Area:483.783
Solvation:-2.21938
Coulombic:-34.2081
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.341
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.67
LogP (Chemaxon):2.94

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Descriptor Annotations

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