chempirical

4-Chloro-6-methoxy-2-pyrimidinamine

C5H6ClN3OCAS 5734-64-5159.57 g/mol

Open in Covalent MOL file
OClNHNHN
Aryl halideEther

Properties

Molecular formula
C5H6ClN3O
Molar mass
159.57 g/mol
Exact mass
159.0199 Da
Melting point
164–166 °C
logP
0.55Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
5734-64-5
SMILES
COc1cc(Cl)[nH]c(=N)n1
InChIKey
VFEYBTFCBZMBAU-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)

Weigh it out

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

Names and synonyms

7 names
  • 2-Pyrimidinamine, 4-chloro-6-methoxy-
  • Pyrimidine, 2-amino-4-chloro-6-methoxy-
  • 2-Amino-4-chloro-6-methoxypyrimidine
  • 4-Methoxy-6-chloro-2-aminopyrimidine
  • NSC 28420
  • (4-Chloro-6-methoxypyrimidin-2-yl)amine
  • 2-Amino-6-chloro-4-methoxypyrimidine

Work with 4-Chloro-6-methoxy-2-pyrimidinamine

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-4,6-dimethoxypyrimidine256642-28-164 % similar 2-Amino-4,6-dimethoxypyrimidine36315-01-264 % similar 4,6-Dichloro-2-pyrimidinamine56-05-355 % similar 2-Amino-6-chloro-4(1H)-pyrimidinone1194-21-453 % similar 4-Methoxy-2-pyrimidinamine155-90-847 % similar 2-Chloro-4,6-dimethoxypyrimidine13223-25-147 % similar 5,7-Dimethoxy[1,2,4]triazolo[1,5-A]pyrimidin-2-amine13223-43-343 % similar 2-Amino-4-methoxy-6-methyl-1,3,5-triazine1668-54-841 % similar

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

Same formula

6-Chloro-5-methoxy-4-pyrimidinamine5018-41-7 2-Chloro-5-methoxy-4-pyrimidinamine99979-77-8

Elsewhere

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