2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde

C₅H₃Cl₂N₃OCAS 5604-46-6192.00 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Primary amine

Properties

Molecular formula: C₅H₃Cl₂N₃O
Molar mass: 192.00 g/mol
Exact mass: 190.9653 Da
logP: 1.18Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5604-46-6

SMILES

C(=O)C1=C(N=C(N=C1Cl)N)Cl

InChIKey

GOJUJUVQIVIZAV-UHFFFAOYSA-N

InChI

InChI=1S/C5H3Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H,(H2,8,9,10)

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Names and synonyms

1 names

2-Amino-4,6-dichloro-pyrimidine-5-carbaldehyde

Work with 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde

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-Trichloro-5-pyrimidinecarboxaldehyde50270-27-462 % similar 4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-957 % similar 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde33097-11-953 % similar 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-850 % similar 4-Amino-2-chloronicotinaldehyde338452-92-944 % similar 2,4,5-Triamino-6-chloropyrimidine hydrochloride155824-29-639 % similar 2,4-Dichloropyrimidine-5-carbaldehyde871254-61-439 % similar 2,4-Dichloropyridine-3-carbaldehyde134031-24-638 % similar

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

Elsewhere

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