Marvin  06210711122D          

  7  7  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:38616

> <NAME>
pyrimidin-4-amine

> <STAR>
3

> <SYNONYM>
pyrimidin-4-ylamine; 6-aminopyrimidine; 4-pyrimidineamine; 4-pyrimidinamine; 4-aminopyrimidine

> <IUPAC_NAME>
pyrimidin-4-amine

> <FORMULA>
C4H5N3

> <MASS>
95.10272

> <MONOISOTOPIC_MASS>
95.04835

> <CHARGE>
0

> <SMILES>
Nc1ccncn1

> <INCHI>
InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)

> <INCHIKEY>
OYRRZWATULMEPF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
107026

> <CAS_REGISTRY_NUMBER>
591-54-8

> <GMELIN_REGISTRY_NUMBER>
971812

> <CHEMIDPLUS>
591-54-8

> <NIST_CHEMISTRY_WEBBOOK>
591-54-8

$$$$