chempirical

4-Methoxy-2-pyrimidinamine

C5H7N3OCAS 155-90-8125.13 g/mol

Open in Covalent MOL file
ONHNHN
Ether

Properties

Molecular formula
C5H7N3O
Molar mass
125.13 g/mol
Exact mass
125.0589 Da
Melting point
119–120 °C
logP
-0.10Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
155-90-8
SMILES
COc1cc[nH]c(=N)n1
InChIKey
YNXLSFXQTQKQEF-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N3O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)

Weigh it out

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

Names and synonyms

6 names
  • 2-Pyrimidinamine, 4-methoxy-
  • Pyrimidine, 2-amino-4-methoxy-
  • 2-Amino-4-methoxypyrimidine
  • 4-Methoxy-2-aminopyrimidine
  • NSC 25503
  • (4-Methoxypyrimidin-2-yl)amine

Work with 4-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-methylpyrimidine108-52-152 % similar 2-Amino-4,6-dimethoxypyrimidine256642-28-150 % similar 2-Amino-4,6-dimethoxypyrimidine36315-01-250 % similar 4-Chloro-6-methoxy-2-pyrimidinamine5734-64-547 % similar Isocytosine108-53-247 % similar 2,6-Dimethoxypyridine6231-18-145 % similar 5,7-Dimethoxy[1,2,4]triazolo[1,5-A]pyrimidin-2-amine13223-43-339 % similar 2-Chloro-6-methoxypyridine17228-64-738 % similar

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

Same formula

2-Amino-5-pyrimidinemethanol120747-85-5 2-Amino-5-methoxypyrimidine13418-77-4 1-Amino-1H-pyrrole-2-carboxamide159326-69-9 2-O-Methylcytosine3289-47-2 2-Amino-4-hydroxy-6-methylpyrimidine3977-29-5 5-Methylcytosine554-01-8 6-Methoxy-4-pyrimidinamine696-45-7 3-Amino-6-methoxypyridazine7252-84-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook