4-Amino-6-chloro-5-pyrimidinecarboxaldehyde

C₅H₄ClN₃OCAS 14160-93-1157.56 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₄ClN₃O
Molar mass: 157.56 g/mol
Exact mass: 157.0043 Da
logP: 0.36Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

14160-93-1

SMILES

N=c1[nH]cnc(Cl)c1C=O

InChIKey

GOJNFUXEBVBARW-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)

Weigh it out

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

Names and synonyms

2 names

5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
6-Chloro-5-difluoromethyl-pyrimidin-4-ylamine

Work with 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde

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 6-Chloro-5-methoxy-4-pyrimidinamine5018-41-747 % similar 3-Chloro-pyrazine-2-carbaldehyde121246-96-636 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-135 % similar 4,5,6-Pyrimidinetriamine118-70-734 % similar 6-Chloropurine87-42-334 % similar 2,6-Dichlorobenzaldehyde83-38-531 % similar 4,6-Diamino-5-nitropyrimidine2164-84-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook