2-Chloro-6-methylpyrimidine-4,5-diamine

C5H7ClN4CAS 63211-98-3158.59 g/mol

Open in Covalent MOL file
NNClNH2NH2
Aryl halidePrimary amine

Properties

Molecular formula
C5H7ClN4
Molar mass
158.59 g/mol
Exact mass
158.0359 Da
logP
0.60Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
63211-98-3
SMILES
CC1=C(C(=NC(=N1)Cl)N)N
InChIKey
KSGKEVCHVYUUDN-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10)

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Names and synonyms

1 names
  • 2-Chloro-4,5-diamino-6-methylpyrimidine

Work with 2-Chloro-6-methylpyrimidine-4,5-diamine

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-Dichloro-5-amino-6-methylpyrimidine13162-27-164 % similar 4-Amino-2-chloro-5-methylpyrimidine14394-70-844 % similar 2-Chloro-4-methylpyrimidin-5-amine20090-69-144 % similar 2-Amino-3,5-dichloro-6-methylpyridine22137-52-644 % similar 4-Amino-5-chloro-2,6-dimethylpyrimidine2858-20-039 % similar 2,5-Dichloropyrimidin-4-amine89180-51-838 % similar 3-Methyl-2-pyrazinamine19838-08-537 % similar 3,6-Dimethylpyrazin-2-amine13134-38-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amidinopyrimidine hydrochloride138588-40-6 Pyrazine-2-carboxamidine hydrochloride138588-41-7

Elsewhere

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