chempirical

2-Amino-5,6-dimethyl-4(3H)-pyrimidinone

C6H9N3OCAS 3977-23-9139.16 g/mol

Open in Covalent MOL file
NHNHNHO
Phenol

Properties

Molecular formula
C6H9N3O
Molar mass
139.16 g/mol
Exact mass
139.0746 Da
Melting point
330 °C
logP
0.21Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
3977-23-9
SMILES
Cc1[nH]c(=N)nc(O)c1C
InChIKey
APWRLAZEMYLHKZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 4(3H)-Pyrimidinone, 2-amino-5,6-dimethyl-
  • 4-Pyrimidinol, 2-amino-5,6-dimethyl-
  • 4(1H)-Pyrimidinone, 2-amino-5,6-dimethyl-
  • 2-Amino-4-hydroxy-5,6-dimethylpyrimidine
  • 2-Amino-5,6-dimethyl-4-pyrimidinol
  • 5,6-Dimethylisocytosine
  • 2-Amino-5,6-dimethyl-4(1H)-pyrimidinone
  • 2-Amino-5,6-dimethyl-4-hydroxypyrimidine
  • NSC 66052
  • 2-Amino-5,6-dimethyl-1,4-dihydropyrimidin-4-one
  • 2-Amino-5,6-dimethyl-1H-pyrimidin-4-one
  • 2-Amino-5,6-dimethyl-3H-pyrimidin-4-one
  • 2-Amino-5,6-dimethyl-3,4-dihydropyrimidin-4-one

Work with 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-bromo-6-methyl-4-pyrimidinol6307-35-365 % similar 6,7-Dimethylpterin611-55-249 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-744 % similar 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-544 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-642 % similar 8-Azaguanine134-58-742 % similar Pterin2236-60-442 % similar 2-Amino-4-hydroxy-6-methylpyrimidine3977-29-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-8 2,3-Diamino-6-methoxypyridine28020-38-4 Toxopyrimidine73-67-6 3,5-Dimethyl-1H-pyrazole-1-carboxamide934-48-5

Elsewhere

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