4-Chloro-6-methoxypyrimidine

C5H5ClN2OCAS 26452-81-3144.56 g/mol

Open in Covalent MOL file
OClNN
Aryl halideEther

Properties

Molecular formula
C5H5ClN2O
Molar mass
144.56 g/mol
Exact mass
144.0090 Da
Melting point
34.5–35 °C
Boiling point
80 °C (at 18 Torr)
logP
1.14Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P270, P280, P301+P317, P302+P352, P316, P321, P330, P361+P364, P405, P501

Identifiers

CAS number
26452-81-3
SMILES
COc1cc(Cl)ncn1
InChIKey
KLJGSQVYUGQOAW-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 4-chloro-6-methoxy-

Work with 4-Chloro-6-methoxypyrimidine

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-Dimethoxypyrimidine5270-94-067 % similar 4,6-Dichloropyrimidine1193-21-154 % similar 6-Methoxy-4-pyrimidinamine696-45-753 % similar 4-Chloro-2,6-dimethoxypyrimidine6320-15-652 % similar 4-Chloro-6-methylpyrimidine3435-25-448 % similar 2-Chloro-4-methoxypyridine17228-69-247 % similar 4-Chloro-2-methoxypyridine72141-44-747 % similar 2-Chloro-6-methoxypyridine17228-64-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-5-methoxypyridazine123696-02-6 3-Chloro-6-methoxypyridazine1722-10-7 4-Chloro-1-methyl-1H-pyrazole-3-carbaldehyde175204-81-6 6-Chloro-4-methyl-2H-pyridazin-3-one1834-27-1 2-Chloro-4-methoxypyrimidine22536-63-6 2-Chloro-5-methoxypyrimidine22536-65-8 2-Chloro-6-methoxypyrazine33332-30-8 2-Amino-3-hydroxy-5-chloropyridine40966-87-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook