
 CHEMBL258075

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.8048    0.3048   -0.0419 C   0  0  0  0  0
    2.3348    0.3564    0.0256 C   0  0  0  0  0
    2.9315   -1.0280   -0.1459 C   0  0  0  0  0
    3.7127   -1.2933   -1.2775 C   0  0  0  0  0
    4.2665   -2.5711   -1.4883 C   0  0  0  0  0
    4.0394   -3.5739   -0.5446 C   0  0  0  0  0
    3.2661   -3.3103    0.5900 C   0  0  0  0  0
    2.7126   -2.0465    0.7891 C   0  0  0  0  0
    4.9991   -2.6991   -2.6418 O   0  0  0  0  0
    5.5843   -3.9626   -2.9710 C   0  0  0  0  0
    5.6623   -4.0292   -4.4948 C   0  0  0  0  0
    6.9828   -4.0466   -2.3681 C   0  0  0  0  0
    4.0221   -0.2245   -2.1280 N   0  0  0  0  0
    3.5233    1.0112   -1.9015 C   0  0  0  0  0
    2.7625    1.3925   -0.9388 N   0  0  0  0  0
    3.9394    1.9193   -2.8188 N   0  0  0  0  0
    0.3764    1.3026    0.1083 H   0  0  0  0  0
    0.3833   -0.3568    0.7222 H   0  0  0  0  0
    0.4652   -0.0547   -1.0208 H   0  0  0  0  0
    2.6294    0.7153    1.0201 H   0  0  0  0  0
    4.4566   -4.5690   -0.6455 H   0  0  0  0  0
    3.0968   -4.0954    1.3233 H   0  0  0  0  0
    2.1157   -1.8581    1.6783 H   0  0  0  0  0
    4.9628   -4.8045   -2.6486 H   0  0  0  0  0
    6.2418   -3.1922   -4.8987 H   0  0  0  0  0
    4.6588   -3.9558   -4.9283 H   0  0  0  0  0
    6.1165   -4.9671   -4.8283 H   0  0  0  0  0
    7.6038   -3.2097   -2.7071 H   0  0  0  0  0
    7.4773   -4.9826   -2.6436 H   0  0  0  0  0
    6.9446   -3.9842   -1.2763 H   0  0  0  0  0
    4.3709   -0.4795   -3.0404 H   0  0  0  0  0
    3.6684    2.8505   -2.5173 H   0  0  0  0  0
    4.9361    1.8759   -2.9886 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL258075

>  <PubChem CID>
16006607

>  <Formula>
C12H17N3O

>  <Molecular Weight>
219.288000

>  <IUPAC Name>
4-methyl-8-propan-2-yloxy-1,4-dihydroquinazolin-2-amine

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1C2=C(C(=CC=C2)OC(C)C)NC(=N1)N

>  <Isomeric SMILES>
CC1C2=C(C(=CC=C2)OC(C)C)NC(=N1)N

>  <InChI Std. ID>
InChI=1S/C12H17N3O/c1-7(2)16-10-6-4-5-9-8(3)14-12(13)15-11(9)10/h4-8H,1-3H3,(H3,13,14,15)

>  <InChI Key>
CWVMKYZWIKCBIY-UHFFFAOYSA-N

