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Chemical ID: 4958773
Chemical ID:
4958773
Name [?]:
9-cyclopentylpurin-6-amine
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3CCCC3)N
InChi [?]:
InChI=1/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:12,13,11,14,1,8,10,4,3,5,15,2,6,9,7/E:(1,2)(3,4)/rA:15nCNCCCNNCNCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70409 |
Area: | 368.765 |
Solvation: | -1.51504 |
Coulombic: | -40.115 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.244 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.23 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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