4-Chloro-5-methoxypyrimidine

C5H5ClN2OCAS 695-85-2144.56 g/mol

Open in Covalent MOL file
ONNCl
Aryl halideEther

Properties

Molecular formula
C5H5ClN2O
Molar mass
144.56 g/mol
Exact mass
144.0090 Da
Melting point
63–64 °C (sublimes)
logP
1.14Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, P501

Identifiers

CAS number
695-85-2
SMILES
COc1cncnc1Cl
InChIKey
CTMIYYREUVYVEL-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2O/c1-9-4-2-7-3-8-5(4)6/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-5-methoxy-

Work with 4-Chloro-5-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

2,4-Dichloro-5-methoxypyrimidine19646-07-255 % similar 4,6-Dichloro-5-methoxypyrimidine5018-38-252 % similar 5-Bromo-2-chloro-3-methoxypyridine286947-03-350 % similar 2-Chloro-3-methoxypyridine52605-96-650 % similar 5-Amino-4-chloropyrimidine54660-78-550 % similar 3-Amino-6-chloro-5-methoxy pyridine75711-01-250 % similar 4-Chloro-6,7-dimethoxyquinazoline13790-39-149 % similar 5-Bromo-4-chloropyrimidine56181-39-645 % 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 4-Chloro-6-methoxypyrimidine26452-81-3 2-Chloro-6-methoxypyrazine33332-30-8

Elsewhere

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