5-Chloropyrimidin-4-amine

C₄H₄ClN₃CAS 101257-82-3129.55 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₄ClN₃
Molar mass: 129.55 g/mol
Exact mass: 129.0094 Da
logP: 0.71Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

101257-82-3

SMILES

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

InChIKey

LQNBBHICRUONJT-UHFFFAOYSA-N

InChI

InChI=1S/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)

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

Names and synonyms

1 names

4-Pyrimidinamine, 5-chloro- (9ci)

Work with 5-Chloropyrimidin-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

2-Amino-3,5-dichloropyridine4214-74-848 % similar 5-Bromo-3-chloropyridin-2-amine38185-55-645 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-141 % similar 4-Chloro-3-pyridinamine20511-15-335 % similar 5-Bromo-4-chloropyrimidine56181-39-635 % similar 5-Chloropyrimidine17180-94-835 % similar 5-Pyrimidinamine591-55-935 % similar 4-Amino-7-bromoimidazo[2,1-F][1,2,4]triazine1235374-44-333 % similar

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

Same formula

6-Chloro-2-pyrazinamine33332-28-4 5-Chloro-2-pyrazinamine33332-29-5 5-Chloro-2-pyrimidinamine5428-89-7 3-Amino-6-chloropyridazine5469-69-2 2-Chloro-5-pyrimidinamine56621-90-0

Elsewhere

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