6-Chloro-5-methoxy-4-pyrimidinamine

C5H6ClN3OCAS 5018-41-7159.57 g/mol

Open in Covalent MOL file
OClNNHHN
Aryl halideEther

Properties

Molecular formula
C5H6ClN3O
Molar mass
159.57 g/mol
Exact mass
159.0199 Da
Melting point
176–178 °C
logP
0.55Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5018-41-7
SMILES
COc1c(Cl)nc[nH]c1=N
InChIKey
AAJZJNHQPBMCFV-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClN3O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)

Weigh it out

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

Names and synonyms

5 names
  • 4-Pyrimidinamine, 6-chloro-5-methoxy-
  • Pyrimidine, 4-amino-6-chloro-5-methoxy-
  • 4-Amino-5-methoxy-6-chloropyrimidine
  • 4-Amino-6-chloro-5-methoxypyrimidine
  • 6-Chloro-5-methoxypyrimidin-4-amine

Work with 6-Chloro-5-methoxy-4-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

6-Chloro-4,5-pyrimidinediamine4316-98-751 % similar 4,6-Dichloro-5-methoxypyrimidine5018-38-250 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-147 % similar 4,5-Dichloroimidazole15965-30-739 % similar O-(6)-Methylguanine20535-83-537 % similar 4-Chloro-5-methoxypyrimidine695-85-237 % similar 4,6-Dihydroxy-5-methoxypyrimidine5193-84-037 % similar 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-methoxy-2-pyrimidinamine5734-64-5 2-Chloro-5-methoxy-4-pyrimidinamine99979-77-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook