Name: Name:3,6-dimethyl-4-oxo-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylic acid
Brand: Angene
SKU: AG00IEFQ
Rating: 90 (10 reviews)

3,6-dimethyl-4-oxo-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylic acid

CAS No.:

872319-72-7

Catalog Number:

AG00IEFQ

Molecular Formula:

C9H8N2O4

Molecular Weight:

208.1708

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Product Description

Catalog Number:

AG00IEFQ

Chemical Name:

3,6-dimethyl-4-oxo-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylic acid

CAS Number:

872319-72-7

Molecular Formula:

C9H8N2O4

Molecular Weight:

208.1708

MDL Number:

MFCD07339362

IUPAC Name:

3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid

InChI:

InChI=1S/C9H8N2O4/c1-4-5(9(13)14)6-7(15-4)10-3-11(2)8(6)12/h3H,1-2H3,(H,13,14)

InChI Key:

SIWTYGNZDXWHIQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(C)oc2c1c(=O)n(cn2)C

Properties

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.173g/mol

Monoisotopic Mass:

208.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

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