6-Chloro-2-methylpyrimidin-4(1H)-one

Name: 6-Chloro-2-methylpyrimidin-4(1H)-one
Brand: ChemScene
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CAS No. 17551-52-9
Cat. No. CS-0042408
Purity≥97%
MDL No.MFCD00030773

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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-2-methylpyrimidin-4(1H)-one|CS-0042408

Structure of 17551-52-9

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General Information

CAS No. 17551-52-9
Cat. No. CS-0042408
Purity ≥97%
MDL No. MFCD00030773
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅ClN₂O
Molecular Weight 144.56
Synonym(s) 6-Chloro-2-Methyl-4-Pyrimidinol
SMILES O=C1C=C(Cl)N=C(C)N1

Description

6-Chloro-2-methylpyrimidin-4(1H)-one features a chlorine substituent at C6 and a methyl group at C2, creating a sterically hindered, electron-deficient pyrimidinone core. This structure enables efficient coupling in nucleophilic substitution reactions and serves as a key scaffold in medicinal chemistry for constructing bioactive heterocycles under mild conditions.

Application

6-Chloro-2-methylpyrimidin-4(1H)-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its chloro group facilitates nucleophilic substitution reactions, while the enolizable carbonyl and methyl substituent support diverse functionalization. The compound exhibits good bench stability and compatibility with standard coupling protocols, making it valuable for synthesizing heterocyclic intermediates and API candidates.

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-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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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 Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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6-Chloro-2-methylpyrimidin-4(1H)-one

CAS No. 17551-52-9

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