4-(Pyridin-3-yl)pyrimidin-2-amine

C₉H₈N₄CAS 66521-66-2172.19 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₉H₈N₄
Molar mass: 172.19 g/mol
Exact mass: 172.0749 Da
logP: 1.12Crippen estimate
Polar surface area: 64.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

66521-66-2

SMILES

C1=CC(=CN=C1)C2=NC(=NC=C2)N

InChIKey

LQHQKYWYKPLKCH-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)

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Names and synonyms

1 names

4-(3-Pyridinyl)-2-aminopyrimidine

Work with 4-(Pyridin-3-yl)pyrimidin-2-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

Imatinib amine152460-10-150 % similar 2,3'-Bipyridine581-50-050 % similar 4-(Pyridin-3-yl)aniline82261-42-550 % similar 3-Phenylpyridine1008-88-444 % similar Pyridine, 3-(1H-1,2,3-triazol-4-yl)- (9ci)120241-79-443 % similar 4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine921205-03-041 % similar 2-Amino-4-bromopyrimidine343926-69-240 % similar 2-Amino-4-chloropyrimidine3993-78-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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