Name: Name:4-(Ethylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
Brand: AABLOCKS
SKU: AA00392B
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00392B

Chemical Name: 4-(Ethylamino)-2-(methylthio)pyrimidine-5-carbaldehyde

CAS Number: 185040-35-1

Molecular Formula: C8H11N3OS

Molecular Weight: 197.2574

MDL Number: MFCD12911523

SMILES: CCNc1nc(SC)ncc1C=O

Properties

Complexity: 168

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.7

Downstream Synthesis Route

3215-64-3

185040-35-1

185039-74-1

[1]JournalofMedicinalChemistry,1998,vol.41,p.3276-3292

[2]Patent:US5733914,1998,A

140-29-4

185040-35-1

214983-20-7

[1]Boschelli,DianeH.;Wu,Zhipei;Klutchko,SylvesterR.;Showalter,H.D.Hollis;Hamby,JamesM.;Lu,GinaH.;Major,TerryC.;Dahring,TawnyK.;Batley,Brian;Panek,RobertL.;Keiser,Joan;Hartl,BrianG.;Kraker,AlanJ.;Klohs,WayneD.;Roberts,BillJ.;Patmore,Sandra;Elliott,WilliamL.;Steinkampf,Randy;Bradford,LauraA.;Hallak,Hussein;Doherty,AnnetteM.[JournalofMedicinalChemistry,1998,vol.41,#22,p.4365-4377]

185040-34-0

185040-35-1

[1]JournalofMedicinalChemistry,2000,vol.43,p.4606-4616

[2]Patent:WO2008/33999,2008,A2.Locationinpatent:Page/Pagecolumn90

[3]JournalofMedicinalChemistry,2016,vol.59,p.5520-5541

[4]JournalofMedicinalChemistry,2014,vol.57,p.578-599

[5]JournalofMedicinalChemistry,2011,vol.54,p.2255-2265

[6]JournalofMedicinalChemistry,1998,vol.41,p.3276-3292

[7]Patent:US2003/171584,2003,A1

[8]Patent:US6498163,2002,B1

[9]Patent:US5733914,1998,A

[10]Patent:US2004/224958,2004,A1

[11]Patent:WO2004/14907,2004,A1.Locationinpatent:Page32-33

1099-45-2

185040-35-1

ethyl3-(4-ethylamino-2-methanesulfanylpyrimidin-5-yl)acrylate

[1]Barvian;Boschelli;Cossrow;Dobrusin;Fattaey;Fritsch;Fry;Harvey;Keller;Garrett;La;Leopold;McNamara;Quin;Trumpp-Kallmeyer;Toogood;Wu;Zhang[JournalofMedicinalChemistry,2000,vol.43,#24,p.4606-4616]

5909-24-0

75-04-7

185040-35-1

[1]Blass,BenjaminE.;Coburn,Keith;Fairweather,Neil;Sabat,Mark;West,Laura[TetrahedronLetters,2006,vol.47,#18,p.3177-3180]

185040-35-1 | 4-(Ethylamino)-2-(methylthio)pyrimidine-5-carbaldehyde