8145607
  Mrv1652303082008162D          

 15 16  0  0  0  0            999 V2000
   11.1382   -8.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1344   -9.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6246   -9.6411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9094   -8.3886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6208   -7.1512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3436   -8.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3436   -9.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6246   -7.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6188   -8.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9094   -9.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9094   -6.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1943   -7.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4828   -6.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7714   -7.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4828   -5.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM024413

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)=CCNC1=NC=NC2=C1N=CN2

> <INCHI_IDENTIFIER>
InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)

> <INCHI_KEY>
HYVABZIGRDEKCD-UHFFFAOYSA-N

> <FORMULA>
C10H13N5

> <MOLECULAR_WEIGHT>
203.2437

> <EXACT_MASS>
203.117095441

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
22.096179271235663

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
1.1319374409999998

> <ALOGPS_LOGS>
-3.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.70336285531875

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.866035595944933

> <JCHEM_PKA_STRONGEST_BASIC>
4.031281193923911

> <JCHEM_POLAR_SURFACE_AREA>
66.49000000000001

> <JCHEM_REFRACTIVITY>
61.21089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.69e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ipade

> <JCHEM_VEBER_RULE>
0

> <NAME>
N6-Prenyladenine

> <CAS>
2365-40-4

> <SYNONYMS>
N6-dimethylallyladenine

$$$$