6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one

Name: 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 109229-22-3
Cat. No. CS-D0519
Purity≥98%
MDL No.MFCD09835497

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one|CS-D0519

Structure of 109229-22-3

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General Information

CAS No. 109229-22-3
Cat. No. CS-D0519
Purity ≥98%
MDL No. MFCD09835497
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₅N₃O
Molecular Weight 241.29
Synonym(s) Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidin-4(3H)-one
SMILES O=C1C(CN(CC2=CC=CC=C2)CC3)=C3N=CN1

Description

6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one features a rigid, electron-rich heterocyclic core with a pendant benzyl group that enhances solubility and modulates reactivity. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one serves as a versatile heterocyclic building block for medicinal chemistry campaigns. Its fused pyridopyrimidinone core exhibits bench stability and tolerates diverse functional groups, enabling straightforward derivatization via nucleophilic substitution or reductive amination. The benzyl substituent enhances solubility and provides a handle for further modification, facilitating rapid exploration of structure–activity relationships in kinase inhibitor and CNS-targeted drug discovery programs.

Synthesis

Route1
- 159660-85-2
- 463-52-5
- ~%
- In-stock
  
  109229-22-3
References
- WO2004/14384 A2, ; Page/Page column 198-199 ; WO 2004/014384 A2
Route2
- 41276-30-6
- 463-52-5
- ~%
- In-stock
  
  109229-22-3
References
- Journal of Medicinal Chemistry, , vol. 51, # 11 p. 3124 - 3132

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 48.99
LogP 1.3282
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one

CAS No. 109229-22-3

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