2-Chloro-4,6-dimethoxypyrimidine

C6H7ClN2O2CAS 13223-25-1174.58 g/mol

Open in Covalent MOL file
OONClN
Aryl halideEther

Properties

Molecular formula
C6H7ClN2O2
Molar mass
174.58 g/mol
Exact mass
174.0196 Da
Melting point
102 °C
logP
1.15Crippen estimate
Polar surface area
44.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
13223-25-1
SMILES
COc1cc(OC)nc(Cl)n1
InChIKey
PBEKEFWBLFBSGQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Pyrimidine, 2-chloro-4,6-dimethoxy-
  • 4,6-Dimethoxy-2-chloropyrimidine

Work with 2-Chloro-4,6-dimethoxypyrimidine

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

2,4,6-Trimethoxypyrimidine13106-85-961 % similar 4,6-Dimethoxy-2-methylpyrimidine13566-48-858 % similar 2-(Chloromethyl)-4,6-dimethoxypyrimidine114108-86-056 % similar 2-Chloro-4-methoxypyrimidine22536-63-656 % similar 2-Chloro-4,6-dimethoxy-1,3,5-triazine3140-73-654 % similar 2,4-Dichloro-6-methoxy-1,3,5-triazine3638-04-854 % similar 4,6-Dimethoxy-2-methylthiopyrimidine90905-46-752 % similar 4,6-Dimethoxypyrimidine5270-94-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-0 4-Chloro-2,6-dimethoxypyrimidine6320-15-6 2-Methyl-3-nitropyridine hydrochloride63585-69-3 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-6

Elsewhere

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