6-Isopropyl-2-(methylthio)pyrimidin-4-ol - CAS 864654-95-5

Catalog:	BB037940
Product Name:	6-Isopropyl-2-(methylthio)pyrimidin-4-ol
CAS:	864654-95-5
Synonyms:	2-(methylthio)-4-propan-2-yl-1H-pyrimidin-6-one; 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
Description:	6-Isopropyl-2-(methylthio)pyrimidin-4-ol (CAS# 864654-95-5) is a useful research chemical.
Molecular Weight:	184.26
Molecular Formula:	C8H12N2OS
Canonical SMILES:	CC(C)C1=CC(=O)NC(=N1)SC
InChI:	InChI=1S/C8H12N2OS/c1-5(2)6-4-7(11)10-8(9-6)12-3/h4-5H,1-3H3,(H,9,10,11)
InChI Key:	WSBGKEVVRHNGOB-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
EP-1321169-A1	Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament	20011218
AU-725891-B2	Aryl pyrimidine derivatives	19960523
CA-2255705-A1	Aryl pyrimidine derivatives	19960523
CZ-291849-B6	The arylpyrimidine derivative, the process for its preparation and the pharmaceutical composition containing it	19960523
CZ-380398-A3	The arylpyrimidine derivative, the process for its preparation and the pharmaceutical composition containing it	19960523

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Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.06703418
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.06703418
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4