2-Hydroxy-5-methylpyrimidine - CAS 41398-85-0

Catalog:	BB024874
Product Name:	2-Hydroxy-5-methylpyrimidine
CAS:	41398-85-0
Synonyms:	5-methyl-1H-pyrimidin-2-one; 5-methyl-1H-pyrimidin-2-one

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Computed Properties

IUPAC Name:	5-methyl-1H-pyrimidin-2-one
Description:	2-Hydroxy-5-methylpyrimidine (CAS# 41398-85-0) is a useful research chemical compound.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	CC1=CNC(=O)N=C1
InChI:	InChI=1S/C5H6N2O/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
InChI Key:	UAQOYBJXXMLVQI-UHFFFAOYSA-N
Boiling Point:	309.1 °C at 760 mmHg
Density:	1.22 g/cm³
MDL:	MFCD20441449
LogP:	0.49060

Publication Number	Title	Priority Date
CN-111995583-A	Synthesis method of 1, 5-dimethylpyrimidine-2 (1H) -ketone	20200818
CN-111995623-A	Synthesis method of 7-bromo-4-chloro-1-methyl-1H-imidazo [4,5-c ] pyridine	20200818
WO-2021174167-A1	Compounds and methods for modulating splicing	20200228
WO-2021141072-A1	Nucleic acid synthesis method using segment-type amidite	20200108
WO-2021080021-A1	Method for producing oligonucleotide	20191024

PMID	Publication Date	Title	Journal
22297720	20120321	Mechanism of the alkali degradation of (6-4) photoproduct-containing DNA	Organic & biomolecular chemistry
22023157	20111124	S0 and S1 state structure, methyl torsional barrier heights, and fast intersystem crossing dynamics of 5-methyl-2-hydroxypyrimidine	The journal of physical chemistry. A
20445905	20100521	Supersonic jet UV spectrum and nonradiative processes of the thymine analogue 5-methyl-2-hydroxypyrimidine	Physical chemistry chemical physics : PCCP
19548532	20090501	[Design of oligonucleotide inhibitors of the human DNA-methyltransferase 1]	Molekuliarnaia biologiia
19081959	20090107	Spectroscopic analysis of the pyrimidine(6-4)pyrimidone photoproduct: insights into the (6-4) photolyase reaction	Organic & biomolecular chemistry

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Related Functional Groups

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[113583-35-0]
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[672-45-7]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, 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:	1
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