Chemical ID: 4558506

CC(=CCNc1c2c([nH]cn2)ncn1)C
Chemical ID:
4558506
Name [?]:
N-(3-methylbut-2-enyl)-9H-purin-6-amine
SMILES [?]:
CC(=CCNc1c2c([nH]cn2)ncn1)C
InChi [?]:
InChI=1/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,3,4,10,13,2,7,6,8,5,11,9,14,12/E:(1,2)/rA:15nCCCCNCCCNCNNCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s7d10;s8;d12;d6s13;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.17522
Area:392.018
Solvation:-1.62524
Coulombic:-40.4055
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.244
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.33
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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