5-Methylpyrimidin-4(3H)-one - CAS 17758-52-0

Catalog:	BB013308
Product Name:	5-Methylpyrimidin-4(3H)-one
CAS:	17758-52-0
Synonyms:	5-methyl-1H-pyrimidin-6-one; 5-methyl-1H-pyrimidin-6-one

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Computed Properties

IUPAC Name:	5-methyl-1H-pyrimidin-6-one
Description:	5-Methylpyrimidin-4(3H)-one (CAS# 17758-52-0) is a useful research chemical.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	CC1=CN=CNC1=O
InChI:	InChI=1S/C5H6N2O/c1-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
InChI Key:	SHLJOANTPJWIHS-UHFFFAOYSA-N
Boiling Point:	192.1 °C at 760 mmHg
Density:	1.22 g/cm³
LogP:	0.49060

Publication Number	Title	Priority Date
WO-2021141072-A1	Nucleic acid synthesis method using segment-type amidite	20200108
WO-2021080021-A1	Method for producing oligonucleotide	20191024
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315

PMID	Publication Date	Title	Journal
21833586	20111201	tRNA structural and functional changes induced by oxidative stress	Cellular and molecular life sciences : CMLS

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.048012819
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3