5-Aminopyrimidin-4-ol Hydrochloride - CAS 106913-64-8

Catalog:	BB001948
Product Name:	5-Aminopyrimidin-4-ol Hydrochloride
CAS:	106913-64-8
Synonyms:	5-amino-1H-pyrimidin-6-one;hydrochloride; 5-amino-1H-pyrimidin-6-one;hydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	5-amino-1H-pyrimidin-6-one;hydrochloride
Description:	5-Aminopyrimidin-4-ol Hydrochloride (CAS# 106913-64-8) is a salt form of 5-Aminopyrimidin-4-ol (A617155), which is a versatile reactant used in the synthesis of thrombin inhibitors using analogs of MD805.
Molecular Weight:	147.56
Molecular Formula:	C4H6ClN3O
Canonical SMILES:	C1=C(C(=O)NC=N1)N.Cl
InChI:	InChI=1S/C4H5N3O.ClH/c5-3-1-6-2-7-4(3)8;/h1-2H,5H2,(H,6,7,8);1H
InChI Key:	QNHQWEPCQNAAPX-UHFFFAOYSA-N
LogP:	1.14760

Publication Number	Title	Priority Date
AU-2012328199-A1	Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies	20111028
CA-2849977-A1	Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies	20111028
ES-2550983-T3	Di-substituted compounds of diamino-3,4-cyclobutene-3-dione-1,2 useful in the treatment of chemokine-mediated pathologies	20111028
FR-2981934-A1	Novel di-substituted diamino-3,4-cyclobutene-3-dione-1,2 compounds useful in the treatment of chemokine mediated pathologies.	20111028
JP-2014530895-A	Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated lesions	20111028

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Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.0199395
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	147.0199395
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0