2-(Chloromethyl)pyrimidin-4-amine

C5H6ClN3CAS 79651-35-7143.57 g/mol

Open in Covalent MOL file
NNH2NCl
Alkyl halidePrimary amine

Properties

Molecular formula
C5H6ClN3
Molar mass
143.57 g/mol
Exact mass
143.0250 Da
logP
0.80Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
79651-35-7
SMILES
C1=CN=C(N=C1N)CCl
InChIKey
JWAQENUKTAOJST-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClN3/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2,(H2,7,8,9)

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Names and synonyms

1 names
  • 4-Pyrimidinamine, 2-(chloromethyl)- (9ci)

Work with 2-(Chloromethyl)pyrimidin-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-chloropyrimidine7461-50-952 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-642 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-042 % similar 6-Chloro-2-pyridinamine45644-21-134 % similar 2-Chloro-4-(chloromethyl)pyridine101990-73-234 % similar (2-Aminopyridin-4-yl)methanol105250-17-733 % similar 2-Chloromethylpyridine4377-33-733 % similar 3-(Chloromethyl)-1,2,4-oxadiazole51791-12-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-5-methylpyrimidin-4-amine14394-56-0 2-Chloro-6-methyl-4-pyrimidinamine14394-60-6 4-Amino-2-chloro-5-methylpyrimidine14394-70-8 6-Chloro-N-methyl-3-pyridazinamine14959-32-1 6-Chloro-2-methylpyrimidin-4-amine1749-68-4 2-Chloro-4-methylpyrimidin-5-amine20090-69-1 3-Chloro-2-hydrazinylpyridine22841-92-5 4-Chloropyridine-2,3-diamine24484-98-8

Elsewhere

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