Name: Name:3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoic acid
Brand: Angene
SKU: AG019OFI
Rating: 90 (10 reviews)

3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoic acid

CAS No.:

847837-31-4

Catalog Number:

AG019OFI

Molecular Formula:

C10H14N2O2S

Molecular Weight:

226.2954

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Product Description

Catalog Number:

AG019OFI

Chemical Name:

3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoic acid

CAS Number:

847837-31-4

Molecular Formula:

C10H14N2O2S

Molecular Weight:

226.2954

MDL Number:

MFCD07325227

IUPAC Name:

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoic acid

InChI:

InChI=1S/C10H14N2O2S/c1-6-8(4-5-9(13)14)7(2)12-10(11-6)15-3/h4-5H2,1-3H3,(H,13,14)

InChI Key:

KVVJWSSSKDKJHV-UHFFFAOYSA-N

SMILES:

CSc1nc(C)c(c(n1)C)CCC(=O)O

Properties

Complexity:

214

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.294g/mol

Monoisotopic Mass:

226.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101