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Chemical ID: 5773792
Chemical ID:
5773792
Name [?]:
N-(3-methylbut-2-enyl)-7H-purin-6-amine
SMILES [?]:
CC(=CCNc1c2c(nc[nH]2)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;d9;s7s10;s8;d12;d6s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01572 |
Area: | 391.376 |
Solvation: | -1.76867 |
Coulombic: | -40.407 |
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): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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