Chemical ID: 5647773

CC(Cc1ccccc1)Nc2c3c([nH]cn3)ncn2
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

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