4,5-Diaminopyrimidin-2(1H)-one - CAS 23899-73-2

Catalog:	BB018233
Product Name:	4,5-Diaminopyrimidin-2(1H)-one
CAS:	23899-73-2
Synonyms:	5,6-diamino-1H-pyrimidin-2-one; 5,6-diamino-1H-pyrimidin-2-one

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Computed Properties

IUPAC Name:	5,6-diamino-1H-pyrimidin-2-one
Description:	4,5-Diaminopyrimidin-2(1H)-one (CAS# 23899-73-2) is a useful research chemical.
Molecular Weight:	126.12
Molecular Formula:	C4H6N4O
Canonical SMILES:	C1=NC(=O)NC(=C1N)N
InChI:	InChI=1S/C4H6N4O/c5-2-1-7-4(9)8-3(2)6/h1H,5H2,(H3,6,7,8,9)
InChI Key:	ZOAGFDYQEMSRDR-UHFFFAOYSA-N
LogP:	0.09670

Publication Number	Title	Priority Date
US-2020385713-A1	Rna-editing oligonucleotides and uses thereof	20190122
US-2020392486-A1	Rna-editing oligonucleotides and uses thereof	20190122
US-2020399303-A1	Rna-editing oligonucleotides and uses thereof	20190122
WO-2020154342-A1	Rna-editing oligonucleotides and uses thereof	20190122
WO-2020154343-A1	Rna-editing oligonucleotides and uses thereof	20190122

PMID	Publication Date	Title	Journal
22989530	20121015	Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening	Bioorganic & medicinal chemistry letters
21343293	20110422	Role of increased guanosine triphosphate cyclohydrolase-1 expression and tetrahydrobiopterin levels upon T cell activation	The Journal of biological chemistry
21206084	20110101	Two new polymorphs of 2,6-diaminopyrimidin-4(3H)-one monohydrate	Acta crystallographica. Section C, Crystal structure communications
17460431	20070301	Insulin enhances nitric oxide production in trabecular meshwork cells via de novo pathway for tetrahydrobiopterin synthesis	Korean journal of ophthalmology : KJO
16305258	20051130	Stable, specific, and reversible base pairing via Schiff base	Journal of the American Chemical Society

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.05416083
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	126.05416083
Rotatable Bond Count:	0
Topological Polar Surface Area:	93.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.7