Chemical ID: 6506783

COC(=O)C(N)n1cnc2c1ncnc2N
Chemical ID:
6506783
Name [?]:
methyl 2-amino-2-(6-aminopurin-9-yl)-acetate
SMILES [?]:
COC(=O)C(N)n1cnc2c1ncnc2N
InChi [?]:
InChI=1/C8H10N6O2/c1-16-8(15)6(10)14-3-13-4-5(9)11-2-12-7(4)14/h2-3,6H,10H2,1H3,(H2,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,13,8,10,15,5,11,3,16,6,14,12,9,7,4,2/rA:16cCOCOCNNCNCCNCNCN/rB:s1;s2;d3;s3;s5;s5;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N6O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.53441
Area:382.275
Solvation:-3.02245
Coulombic:-70.9289
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:222.204
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.87
LogP (Chemaxon):-0.73

Name Annotations

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Descriptor Annotations

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