CAS 742094-64-0 3-{4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}pyridine (HCID 2427243)

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Basic information

CAS: 742094-64-0
Standard SMILES: Cc1sc2nc(-c3cccnc3)nc(Cl)c2c1C
InChIKey: OKMOUSJGXYXWHP-UHFFFAOYSA-N
Molecular formula: C13H10ClN3S
Average molar mass: 275.76 g/mol

Names & identifiers

Preferred name: 3-{4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}pyridine
IUPAC: 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
English name: Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-2-(3-pyridinyl)-
Molecular formula: C13H10ClN3S
Molecular weight: 275.76

Names & synonyms

742094-64-03-{4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}pyridine4-Chloro-5,6-dimethyl-2-(pyridin-3-yl)thieno[2,3-d]pyrimidine4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine3-(4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)pyridineMFCD05261216WAY-632021SCHEMBL5124093OKMOUSJGXYXWHP-UHFFFAOYSA-NSEB09464AKOS000116983AS-87918

Show more names

Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-2-(3-pyridinyl)-

CS-0220737EN300-07416G56274AB00723012-01F643408SR-01000049999SR-01000049999-1Z55928792

Database identifiers

CAS: 742094-64-0
PubChem CID: 2427243
EC Number: 174-724-1

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 66.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 304

Physicochemical properties

Density: 1.361 · 1.361±0.06 g/cm3(Predicted)
pka: 2.61 · 2.61±0.12(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

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, P317, 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.