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6-Chloro-3-isopropylpyrimidine-2,4(1H,3H)-dione

6-Chloro-3-isopropylpyrimidine-2,4(1H,3H)-dione - CAS 887581-47-7

Catalog:	BB039184
Product Name:	6-Chloro-3-isopropylpyrimidine-2,4(1H,3H)-dione
CAS:	887581-47-7
Synonyms:	6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione; 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione

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Computed Properties

IUPAC Name:	6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
Description:	6-Chloro-3-isopropylpyrimidine-2,4(1H,3H)-dione (CAS# 887581-47-7) is a useful research chemical.
Molecular Weight:	188.61
Molecular Formula:	C7H9ClN2O2
Canonical SMILES:	CC(C)N1C(=O)C=C(NC1=O)Cl
InChI:	InChI=1S/C7H9ClN2O2/c1-4(2)10-6(11)3-5(8)9-7(10)12/h3-4H,1-2H3,(H,9,12)
InChI Key:	KGNSZFNQYGWUGX-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021092598-A1	Methods of treatment with myosin modulator	20191110
CN-110698415-A	Myosin inhibitor and preparation method and application thereof	20191021
CN-111116492-A	Deuterated benzylaminopyrimidinedione derivative and application thereof	20190125
WO-2020151605-A1	Deuterated benzylaminopyrimidinedione derivatives and use thereof	20190125
CN-111116492-B	Deuterated benzylaminopyrimidinedione derivative and application thereof	20190125

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[70199-62-1]
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[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0352552
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.0352552
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8