4-Amino-6-chloro-5-pyrimidinecarboxaldehyde

C5H4ClN3OCAS 14160-93-1157.56 g/mol

Open in Covalent MOL file
HNHNNClO
AldehydeAryl 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
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 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-850 % similar 6-Chloro-5-methoxy-4-pyrimidinamine5018-41-747 % similar 2,4-Dichloropyridine-3-carbaldehyde134031-24-643 % similar 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-441 % similar 2-Chloro-4-iodopyridine-3-carbaldehyde153034-90-341 % similar 4-Amino-2-chloronicotinaldehyde338452-92-941 % similar 4,5-Dichloroimidazole15965-30-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloropyrimidine-4-carboxamide22536-66-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook