4-Hydroxy-6-methoxy-pyrimidine-2-carboxylic Acid - CAS 1785505-43-2

Catalog:	BB061038
Product Name:	4-Hydroxy-6-methoxy-pyrimidine-2-carboxylic Acid
CAS:	1785505-43-2
Synonyms:	4-Hydroxy-6-methoxypyrimidine-2-carboxylic acid; 4-Methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid; 4-Hydroxy-6-methoxy-pyrimidine-2-carboxylic Acid

Technical Data

IUPAC Name:	4-methoxy-6-oxo-1H-pyrimidine-2-carboxylic acid
Description:	4-Hydroxy-6-methoxy-pyrimidine-2-carboxylic Acid is an analog of Methyl Orotate (M320990) which is used in the synthesis of pyrrimidine hydrazine acids. Methyl Orotate (M320990) is also used in the preparation of pyrimidines bearing an acyclic moiety.
Molecular Weight:	170.12
Molecular Formula:	C6H6N2O4
Canonical SMILES:	COC1=CC(=O)NC(=N1)C(=O)O
InChI:	InChI=1S/C6H6N2O4/c1-12-4-2-3(9)7-5(8-4)6(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChI Key:	LNYXTOCSGRKZTM-UHFFFAOYSA-N
References:	Miltschitzky, S. et al. Heterocycles, 67, 135 (2006); Semaine, W. et al. J. Med. Chem., 49, 2049 (2006).

Complexity:	292
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.03275668
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.03275668
Rotatable Bond Count:	2
Topological Polar Surface Area:	88Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6