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3739-81-9,MFCD09260782
Catalog No.:AA00BY2I

3739-81-9 | 1-METHYL-1H-PYRIMIDIN-2-ONE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95
3 weeks  
$398.00   $278.00
- +
250mg
95%
3 weeks  
$759.00   $532.00
- +
500mg
95%
3 weeks  
$1,131.00   $792.00
- +
1g
95%
3 weeks  
$1,415.00   $990.00
- +
2.5g
95%
3 weeks  
$2,665.00   $1,865.00
- +
5g
95%
3 weeks  
$3,883.00   $2,718.00
- +
10g
95%
3 weeks  
$5,706.00   $3,994.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BY2I
Chemical Name:
1-METHYL-1H-PYRIMIDIN-2-ONE
CAS Number:
3739-81-9
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD09260782
SMILES:
Cn1cccnc1=O
NSC Number:
193514
Properties
Properties
 
BP:
180.6°C at 760 mmHg  
Form:
Solid  
MP:
121 - 123°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
-0.5  

Downstream Synthesis Route

[1]Brownetal.[JournaloftheChemicalSociety,1955,p.211,216]

[1]Angelino,S.A.G.F.;Buurman,D.J.;Plas,H.C.vander;Mueller,F.[JournalofHeterocyclicChemistry,1984,vol.21,p.749-752]

[2]Angelino,S.A.G.F.;Buurman,D.J.;Plas,H.C.vander;Mueller,F.[JournalofHeterocyclicChemistry,1984,vol.21,p.749-752]

Literature

Title: Theoretical study of the regioselectivity of the interaction of 3-methyl-4-pyrimidone and 1-methyl-2-pyrimidone with Lewis acids.

Journal: The journal of physical chemistry. A 20120823

Title: The excited-state decay of 1-methyl-2(1H)-pyrimidinone is an activated process.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20110711

Title: Pharmacophore development and docking studies of the hiv-1 integrase inhibitors derived from N-methylpyrimidones, Dihydroxypyrimidines, and bicyclic pyrimidinones.

Journal: Chemical biology & drug design 20110701

Title: Clinical Use of Inhibitors of HIV-1 Integration: Problems and Prospects.

Journal: Acta naturae 20110101

Title: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center.

Journal: Bioorganic & medicinal chemistry letters 20090815

Title: Raltegravir, elvitegravir, and metoogravir: the birth of 'me-too' HIV-1 integrase inhibitors.

Journal: Retrovirology 20090101

Title: Design and synthesis of bicyclic pyrimidinones as potent and orally bioavailable HIV-1 integrase inhibitors.

Journal: Journal of medicinal chemistry 20080227

Title: 4,5-dihydroxypyrimidine carboxamides and N-alkyl-5-hydroxypyrimidinone carboxamides are potent, selective HIV integrase inhibitors with good pharmacokinetic profiles in preclinical species.

Journal: Journal of medicinal chemistry 20061116

Title: HCV NS5b RNA-dependent RNA polymerase inhibitors: from alpha,gamma-diketoacids to 4,5-dihydroxypyrimidine- or 3-methyl-5-hydroxypyrimidinonecarboxylic acids. Design and synthesis.

Journal: Journal of medicinal chemistry 20041021

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SDS
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