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Chemical ID: 5647773
Chemical ID:
5647773
Name [?]:
N-(1-methyl-2-phenyl-ethyl)-9H-purin-6-amine
SMILES [?]:
CC(Cc1ccccc1)Nc2c3c([nH]cn3)ncn2
InChi [?]:
InChI=1/C14H15N5/c1-10(7-11-5-3-2-4-6-11)19-14-12-13(16-8-15-12)17-9-18-14/h2-6,8-10H,7H2,1H3,(H2,15,16,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,3,15,18,2,4,12,13,11,16,14,17,19,10/E:(3,4)(5,6)/rA:19cCCCCCCCCCNCCCNCNNCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;d12;s13;s14;s12d15;s13;d17;d11s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.99602 |
Area: | 440.375 |
Solvation: | -2.01335 |
Coulombic: | -41.1778 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 253.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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