4-Amino-2-chloropyrimidine-5-carbonitrile

C₅H₃ClN₄CAS 94741-69-2154.56 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₅H₃ClN₄
Molar mass: 154.56 g/mol
Exact mass: 154.0046 Da
logP: 0.58Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H315 Causes skin irritation90.9% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H332 Harmful if inhaled11.4% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 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+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

94741-69-2

SMILES

C1=C(C(=NC(=N1)Cl)N)C#N

InChIKey

WDHFCSOENXEMRC-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)

Weigh it out

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

Work with 4-Amino-2-chloropyrimidine-5-carbonitrile

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-Dichloro-5-cyanopyrimidine3177-24-061 % similar 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile770-30-956 % similar 2,5-Dichloropyrimidin-4-amine89180-51-852 % similar 4-Amino-2-chloro-5-methylpyrimidine14394-70-848 % similar 4-Amino-5-bromo-2-chloropyrimidine205672-25-948 % similar 2-Chloro-5-iodopyrimidin-4-amine597551-56-948 % similar 2-Amino-5-bromopyridine-3-carbonitrile709652-82-443 % similar 2-Amino-3-cyanopyridine24517-64-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloropurine1681-15-8 6-Chloro-1H-pyrazolo[3,4-D]pyrimidine23002-51-9 6-Chloro-[1,2,4]triazolo[4,3-B]pyridazine28593-24-0 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-8 4-Amino-6-chloropyrimidine-5-carbonitrile60025-09-4 6-Chloropurine87-42-3

Elsewhere

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