Chemical ID: 6720574

c1[nH]c2c(n1)ncnc2N3CCCC3
Chemical ID:
6720574
Name [?]:
6-pyrrolidin-1-yl-7H-purine
SMILES [?]:
c1[nH]c2c(n1)ncnc2N3CCCC3
InChi [?]:
InChI=1/C9H11N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:12,13,11,14,1,7,3,4,9,2,5,6,8,10/E:(1,2)(3,4)/rA:14nCNCCNNCNCNCCCC/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.74942
Area:339.597
Solvation:-1.7405
Coulombic:-34.5447
Bond Count [?]
All:16
Single:12
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.217
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.2
LogP (Chemaxon):1.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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