2-Methyl-3H-thieno[2,3-d]pyrimidin-4-one

Name: 2-Methyl-3H-thieno[2,3-d]pyrimidin-4-one
Brand: ChemScene
Availability: InStock
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CAS No. 21582-51-4
Cat. No. CS-0061373
Molecule weightNone
Purity≥96%
MDL No.MFCD11215300

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2-Methyl-3H-thieno[2,3-d]pyrimidin-4-one|CS-0061373

Structure of 21582-51-4

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General Information

CAS No. 21582-51-4
Cat. No. CS-0061373
Purity ≥96%
MDL No. MFCD11215300
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆N₂OS
Molecular Weight None
Synonym(s) 2-Methylthieno[2,3-d]pyrimidin-4-ol
SMILES CC1=NC(=C2C=CSC2=N1)O

Description

2-Methyl-3H-thieno[2,3-d]pyrimidin-4-one is a heterocyclic scaffold featuring a fused thienopyrimidinone core with a methyl substituent at the 2-position. This electron-deficient system integrates readily into medicinal chemistry libraries, offering enhanced metabolic stability and favorable binding interactions in kinase-targeted drug discovery.

Application

2-Methyl-3H-thieno[2,3-d]pyrimidin-4-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling the synthesis of purine-like scaffolds with enhanced metabolic stability. Its fused thienopyrimidinone core exhibits favorable bench stability and compatibility with standard coupling reactions, facilitating efficient functionalization at C2 and C6 positions. The compound functions effectively in nucleophilic substitution and transition-metal-catalyzed cross-coupling processes, supporting rapid access to diverse analogs for drug discovery applications.

Synthesis

Route1
- In-stock
  
  31891-06-2
- 75-05-8
- ~40%
- In-stock
  
  21582-51-4
References
- Katholieke Universiteit Leuven, K.U. Leuven RandD; Herman, Jean; Louat, Thierry Patent: US2014/88088 A1, 2014 ; Location in patent: Paragraph 1223-1224 ;
Route2
- 55654-14-3
- ~%
- In-stock
  
  21582-51-4
References
- Bulletin de la Societe Chimique de France, , p. 587 - 591
Route3
- 55654-18-7
- ~%
- In-stock
  
  21582-51-4
References
- Bulletin de la Societe Chimique de France, , p. 587 - 591

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 46.01
LogP 1.70532
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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2-Methyl-3H-thieno[2,3-d]pyrimidin-4-one

CAS No. 21582-51-4

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