2-Methyl-5-pyrimidinecarbaldehyde - CAS 90905-33-2

Catalog:	BB039984
Product Name:	2-Methyl-5-pyrimidinecarbaldehyde
CAS:	90905-33-2
Synonyms:	2-methyl-5-pyrimidinecarboxaldehyde; 2-methylpyrimidine-5-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-methylpyrimidine-5-carbaldehyde
Description:	2-Methyl-5-pyrimidinecarbaldehyde (CAS# 90905-33-2) is a compound useful in organic synthesis.
Molecular Weight:	122.12
Molecular Formula:	C6H6N2O
Canonical SMILES:	CC1=NC=C(C=N1)C=O
InChI:	InChI=1S/C6H6N2O/c1-5-7-2-6(4-9)3-8-5/h2-4H,1H3
InChI Key:	IJBONYUNKRDIFC-UHFFFAOYSA-N
Boiling Point:	213.7 °C at 760 mmHg
Density:	1.176 g/cm³
Appearance:	Solid
MDL:	MFCD07186434
LogP:	0.59750

Publication Number	Title	Priority Date
CN-111892585-A	N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof	20200805
CN-113214240-A	N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof	20200805
WO-2020210909-A1	Novel radiolabelled compounds for diagnosis or treatment of prostate-specific membrane antigen-expressing cancer	20190417
WO-2020165833-A1	3-(1-oxo-5-(piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20190215
WO-2019126354-A1	Sgc stimulators	20171219

PMID	Publication Date	Title	Journal
20119988	20100308	Mechanism of the asymmetric autocatalytic Soai reaction studied by density functional theory	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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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:	97.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.048012819
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1