2-Chloro-5-iodopyrimidin-4-amine

C₄H₃ClIN₃CAS 597551-56-9255.44 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₃ClIN₃
Molar mass: 255.44 g/mol
Exact mass: 254.9060 Da
logP: 1.32Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

597551-56-9

SMILES

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

InChIKey

RAMOUFDZSBRIGR-UHFFFAOYSA-N

InChI

InChI=1S/C4H3ClIN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9)

Weigh it out

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

Names and synonyms

1 names

4-Amino-2-chloro-5-iodopyrimidine

Work with 2-Chloro-5-iodopyrimidin-4-amine

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

4-Amino-2-chloro-5-methylpyrimidine14394-70-859 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-057 % similar 2,5-Dichloropyrimidin-4-amine89180-51-857 % similar 4-Amino-5-bromo-2-chloropyrimidine205672-25-953 % similar 4-Amino-2-chloropyrimidine-5-carbonitrile94741-69-248 % similar 2-Amino-6-chloro-3-iodopyridine800402-06-648 % similar 5-Chloro-3-iodo-2-pyridinamine211308-81-547 % similar (3-Chloro-4-iodopyridin-2-yl)amine1152617-24-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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