2-Amino-4,6-dichloro-5-isopropylpyrimidine - CAS 500161-46-6

Catalog:	BB026892
Product Name:	2-Amino-4,6-dichloro-5-isopropylpyrimidine
CAS:	500161-46-6
Synonyms:	4,6-dichloro-5-propan-2-yl-2-pyrimidinamine; 4,6-dichloro-5-propan-2-ylpyrimidin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	4,6-dichloro-5-propan-2-ylpyrimidin-2-amine
Description:	2-Amino-4,6-dichloro-5-isopropylpyrimidine (CAS# 500161-46-6 ) is a useful research chemical.
Molecular Weight:	206.07
Molecular Formula:	C7H9Cl2N3
Canonical SMILES:	CC(C)C1=C(N=C(N=C1Cl)N)Cl
InChI:	InChI=1S/C7H9Cl2N3/c1-3(2)4-5(8)11-7(10)12-6(4)9/h3H,1-2H3,(H2,10,11,12)
InChI Key:	ZIGZBWFRRSIFAH-UHFFFAOYSA-N
Boiling Point:	335.7 °C at 760 mmHg
Density:	1.354 g/cm³
LogP:	2.25520

Publication Number	Title	Priority Date
CZ-2011103-A3	Pyrimidine compounds inhibiting formation of nitrogen monoxide and prostaglandin E2, preparation process and use thereof	20110228
CZ-305457-B6	Pyrimidine compounds inhibiting formation of nitrogen monoxide and prostaglandin E2, process for their preparation and use	20110228
EP-2680847-A1	Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin e2, method of production thereof and use thereof	20110228
EP-3195867-A1	Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin e2, method of production thereof and use thereof	20110228
EP-3195867-B1	Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin e2, method of production thereof and use thereof	20110228

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Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0173527
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.0173527
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9