5-Chloropyrimidin-4-amine

C4H4ClN3CAS 101257-82-3129.55 g/mol

Open in Covalent MOL file
NNNH2Cl
Aryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

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

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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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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

2,5-Dichloropyrimidin-4-amine89180-51-850 % similar 2-Amino-3,5-dichloropyridine4214-74-848 % similar 3-Chloro-5-methylpyridin-2-amine31430-41-847 % similar 5-Bromo-3-chloropyridin-2-amine38185-55-645 % similar 2-Amino-3-chloropyridine39620-04-745 % similar 4-Aminopyrimidine-5-carboxylic acid20737-41-141 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-141 % similar 4-Amino-3-chloropyridine19798-77-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Amino-3-chloropyridazine29049-45-4 6-Chloro-2-pyrazinamine33332-28-4 5-Chloro-2-pyrazinamine33332-29-5 2-Amino-4-chloropyrimidine3993-78-0 4-Amino-6-chloropyrimidine5305-59-9 5-Chloro-2-pyrimidinamine5428-89-7 5-Amino-4-chloropyrimidine54660-78-5 3-Amino-6-chloropyridazine5469-69-2

Elsewhere

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