6-Chloro-5-methylpyrimidin-4(1H)-one

Name: 6-Chloro-5-methylpyrimidin-4(1H)-one
Brand: ChemScene
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CAS No. 18261-42-2
Cat. No. CS-W016373
Purity≥97%
MDL No.MFCD09879261

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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6-Chloro-5-methylpyrimidin-4(1H)-one|CS-W016373

Structure of 18261-42-2

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General Information

CAS No. 18261-42-2
Cat. No. CS-W016373
Purity ≥97%
MDL No. MFCD09879261
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅ClN₂O
Molecular Weight 144.56
Synonym(s) 6-Chloro-5-methylpyrimidin-4-OL
SMILES O=C1N=CNC(Cl)=C1C

Description

6-Chloro-5-methylpyrimidin-4(1H)-one features a chlorinated pyrimidinone core with a methyl group at C5, delivering enhanced electronic modulation and metabolic stability. This scaffold integrates readily into heterocyclic syntheses, serving as a key building block for pharmaceutical intermediates and agrochemicals under standard conditions.

Application

6-Chloro-5-methylpyrimidin-4(1H)-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its chloro and methyl groups provide orthogonal sites for nucleophilic substitution and functionalization, facilitating rapid diversification. The compound exhibits good bench stability and is compatible with standard coupling reactions, making it well-suited for modular synthesis of heterocyclic intermediates and API candidates.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H315-H318
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 45.75
LogP 0.73172
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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6-Chloro-5-methylpyrimidin-4(1H)-one

CAS No. 18261-42-2

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