4-Amino-2-chloropyrimidine

C4H4ClN3CAS 7461-50-9129.55 g/mol

Open in Covalent MOL file
NNH2NCl
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

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
7461-50-9
SMILES
C1=CN=C(N=C1N)Cl
InChIKey
LPBDZVNGCNTELM-UHFFFAOYSA-N
InChI
InChI=1S/C4H4ClN3/c5-4-7-2-1-3(6)8-4/h1-2H,(H2,6,7,8)

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Names and synonyms

1 names
  • 2-Chloro-4-aminopyrimidine

Work with 4-Amino-2-chloropyrimidine

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-Dichloropyrimidine3934-20-152 % similar 2-(Chloromethyl)pyrimidin-4-amine79651-35-752 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-648 % similar 2-Chloro-4-methylpyrimidine13036-57-248 % similar 6-Chloro-2-pyridinamine45644-21-144 % similar 2-Chloropyrimidine-4-carboxamide22536-66-944 % similar 2-Chloro-4-methoxypyrimidine22536-63-643 % similar 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloropyrimidin-4-amine101257-82-3 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

Elsewhere

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