Name: Name:2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)acetic acid
Brand: Angene
SKU: AG00VT6F
Rating: 90 (10 reviews)

2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)acetic acid

CAS No.:

384353-04-2

Catalog Number:

AG00VT6F

Molecular Formula:

C10H11N3O2S

Molecular Weight:

237.2782

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Purity

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Product Description

Catalog Number:

AG00VT6F

Chemical Name:

2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)acetic acid

CAS Number:

384353-04-2

Molecular Formula:

C10H11N3O2S

Molecular Weight:

237.2782

MDL Number:

MFCD03285338

IUPAC Name:

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

InChI:

InChI=1S/C10H11N3O2S/c1-5-6(2)16-10-8(5)9(12-4-13-10)11-3-7(14)15/h4H,3H2,1-2H3,(H,14,15)(H,11,12,13)

InChI Key:

XZZINGVQMPIXPU-UHFFFAOYSA-N

SMILES:

Cc1c(C)sc2c1c(NCC(=O)O)ncn2

Properties

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.277g/mol

Monoisotopic Mass:

237.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

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

Properties