
 Methyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.0588   -1.4099    1.6931 C   0  0  0  0  0
    4.2018   -0.8568    1.0385 O   0  0  0  0  0
    3.9829    0.3551    0.4560 C   0  0  0  0  0
    2.9198    0.9610    0.4900 O   0  0  0  0  0
    5.2466    0.8727   -0.1859 C   0  0  0  0  0
    4.9768    2.2166   -0.8499 C   0  0  0  0  0
    6.1837    2.6414   -1.5262 N   0  0  0  0  0
    6.9789    1.7088   -2.1201 C   0  0  0  0  0
    6.8846    0.4323   -2.0355 N   0  0  0  0  0
    5.7610   -0.0992   -1.2447 C   0  0  0  0  0
    2.7552   -0.7743    2.5307 H   0  0  0  0  0
    3.3356   -2.3925    2.0853 H   0  0  0  0  0
    2.2345   -1.5397    0.9848 H   0  0  0  0  0
    5.9990    1.0070    0.6026 H   0  0  0  0  0
    4.6923    2.9687   -0.1058 H   0  0  0  0  0
    4.1577    2.1493   -1.5764 H   0  0  0  0  0
    6.1841    3.5787   -1.9137 H   0  0  0  0  0
    7.7891    2.1595   -2.7182 H   0  0  0  0  0
    4.9572   -0.3921   -1.9320 H   0  0  0  0  0
    6.1025   -1.0218   -0.7607 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8  9  2  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
 10 19  1  0  0  0
 10 20  1  0  0  0
M  END

>  <Chemical Name>
Methyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

>  <PubChem CID>
10197743

>  <Formula>
C6H10N2O2

>  <Molecular Weight>
142.158000

>  <IUPAC Name>
methyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

>  <XlogP>
-0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC(=O)C1CNC=NC1

>  <Isomeric SMILES>
COC(=O)C1CNC=NC1

>  <InChI Std. ID>
InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)

>  <InChI Key>
ASEICNBZJHLFCN-UHFFFAOYSA-N

