Chemical ID: 4496754

c1ccc(cc1)CNCCn2cnc3c2ncnc3N
Chemical ID:
4496754
Name [?]:
9-(2-benzylaminoethyl)purin-6-amine
SMILES [?]:
c1ccc(cc1)CNCCn2cnc3c2ncnc3N
InChi [?]:
InChI=1/C14H16N6/c15-13-12-14(18-9-17-13)20(10-19-12)7-6-16-8-11-4-2-1-3-5-11/h1-5,9-10,16H,6-8H2,(H2,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,7,17,12,4,14,19,15,20,8,18,16,13,11/E:(2,3)(4,5)/rA:20nCCCCCCCNCCNCNCCNCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;s11s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.75654
Area:482.293
Solvation:-2.30078
Coulombic:-49.9169
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.317
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.29
LogP (Chemaxon):1.4

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Descriptor Annotations

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