2-chloro-N-methyl-5-nitropyrimidin-4-amine

HCID 7147232CAS 89283-49-8

Substructure search Find similar structures

Basic information

Standard SMILES: CNc1nc(Cl)ncc1[N+](=O)[O-]
InChIKey: POTFNHOCCZSOOA-UHFFFAOYSA-N
Molecular formula: C5H5ClN4O2
Average molar mass: 188.57 g/mol
Monoisotopic mass: 188.01010308

Names & identifiers

Preferred name: 2-chloro-N-methyl-5-nitropyrimidin-4-amine
IUPAC: 2-chloro-N-methyl-5-nitropyrimidin-4-amine
English name: 2-chloro-N-methyl-5-nitropyrimidin-4-amine
Molecular formula: C5H5ClN4O2
Molecular weight: 188.57

Names & synonyms

2-chloro-N-methyl-5-nitropyrimidin-4-amine89283-49-8DTXSID604280692-chloro-N-methyl-5-nitro-4-pyrimidinamineRefChem:470319DTXCID50378903996-868-12-Chloro-4-(methylamino)-5-nitropyrimidine(2-Chloro-5-nitro-pyrimidin-4-yl)-methyl-amineMFCD07440210CHEMBL4226348SCHEMBL4867295

Show more names

AKOS A0602-06344-Pyrimidinamine, 2-chloro-N-methyl-5-nitro-

POTFNHOCCZSOOA-UHFFFAOYSA-NPDA28349BDBM50461121AKOS000320554AB420302-chloro-4-methylamino-5-nitropyrimidineSY0386662-chloro-4-methylamino-5-nitro-pyrimidine

Database identifiers

CAS: 89283-49-8
PubChem CID: 7147232
DTXSID: DTXSID60428069
ChEMBL: CHEMBL4226348
EC Number: 996-868-1

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 173

Physicochemical properties

storage temp.: 2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.