chempirical

6-Amino-4(3H)-pyrimidinone

C4H5N3OCAS 1193-22-2111.10 g/mol

Open in Covalent MOL file
H2NOHNN
PhenolPrimary amine

Properties

Molecular formula
C4H5N3O
Molar mass
111.10 g/mol
Exact mass
111.0433 Da
Melting point
263–264 °C (decomposes)
logP
-0.24Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1193-22-2
SMILES
Nc1cc(O)ncn1
InChIKey
HFMLLTVIMFEQRE-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O/c5-3-1-4(8)7-2-6-3/h1-2H,(H3,5,6,7,8)

Weigh it out

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

Names and synonyms

9 names
  • 4(3H)-Pyrimidinone, 6-amino-
  • 4(1H)-Pyrimidinone, 6-amino-
  • 4-Pyrimidinol, 6-amino-
  • 4-Hydroxy-6-aminopyrimidine
  • 4-Amino-6-hydroxypyrimidine
  • 4-Amino-6-pyrimidinol
  • NSC 19868
  • 6-Aminopyrimidin-4(3H)-one
  • 6-Amino-1H-pyrimidin-4-one

Work with 6-Amino-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

4,6-Dihydroxypyrimidine1193-24-462 % similar Pyrimidine-4,6-diamine2434-56-262 % similar 6-Methyl-4(3H)-pyrimidinone3524-87-648 % similar 4-Amino-6-chloropyrimidine5305-59-948 % similar 6-Aminouracil873-83-646 % similar 6-Amino-2-thiouracil1004-40-643 % similar 6-(Trifluoromethyl)pyrimidin-4-amine672-41-343 % similar 6-Methoxy-4-pyrimidinamine696-45-743 % similar

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

Same formula

Isocytosine108-53-2 2-Amino-5-hydroxypyrimidine143489-45-6 Cytosine71-30-7

Elsewhere

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