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

C5H3Cl2N3OCAS 5604-46-6192.00 g/mol

Open in Covalent MOL file
ONNClNH2Cl
AldehydeAryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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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