Chemical ID: 3965210

c1nc2c(nc(nc2n1C3CC(C=C3)CO)N)NC4CC4
Chemical ID:
3965210
Name [?]:
[4-(2-amino-6-cyclopropylamino-purin-9-yl)-1-cyclopent-2-enyl]methanol
SMILES [?]:
c1nc2c(nc(nc2n1C3CC(C=C3)CO)N)NC4CC4
InChi [?]:
InChI=1/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)
InChi Info:
AuxInfo=1/1/N:13,20,21,14,11,15,1,12,19,10,3,4,8,6,17,2,18,5,7,9,16/E:(2,3)/rA:21cCNCCNCNCNCCCCCCONNCCC/rB:d1;s2;s3;d4;s5;d6;d3s7;s1s8;s9;s10;s11;s12;s10d13;s12;s15;s6;s4;s18;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N6O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.40352
Area:490.022
Solvation:-2.84702
Coulombic:-70.1588
Bond Count [?]
All:24
Single:19
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.333
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:1.05
LogP (Chemaxon):0.98

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Descriptor Annotations

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