6-Chloro-5-methoxy-4-pyrimidinamine

C₅H₆ClN₃OCAS 5018-41-7159.57 g/mol

Open in Covalent MOL file

Aryl halide Ether

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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

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 6-O-Methylguanine20535-83-537 % similar 4-Chloro-5-methoxypyrimidine695-85-237 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-135 % similar 2-Chloro-5-methoxypyrimidine22536-65-834 % similar 4,5,6-Pyrimidinetriamine118-70-734 % 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