2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

Name: 2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Brand: ChemScene
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CAS No. 19819-15-9
Cat. No. CS-0073675
Purity≥97%
MDL No.MFCD00454938

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2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|CS-0073675

Structure of 19819-15-9

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General Information

CAS No. 19819-15-9
Cat. No. CS-0073675
Purity ≥97%
MDL No. MFCD00454938
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂N₂OS
Molecular Weight 220.30
Synonym(s) 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
SMILES O=C1C2=C(SC3=C2CCCC3)N=C(C)N1

Description

This tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidinone scaffold integrates a fused heterocyclic core with a methylated position at the 2-locus, offering enhanced stability and tailored electronic properties. The saturated thiophene ring system imparts favorable solubility and metabolic resilience, enabling efficient incorporation into bioactive scaffolds for medicinal chemistry campaigns.

Application

2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one serves as a privileged heterocyclic scaffold in medicinal chemistry, offering a rigid, planar core with defined hydrogen-bonding capacity. The molecule exhibits bench stability and functions as a versatile building block for functionalization at the C2-methyl and C4 carbonyl positions. Its structure supports diverse transformations including nucleophilic substitution, cross-coupling, and derivatization under standard conditions, enabling efficient access to analogs for target-directed library synthesis.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 45.75
LogP 2.17182
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

CAS No. 19819-15-9

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