Pyrimidine-4-carbaldehyde - CAS 2435-50-9

Catalog:	BB018429
Product Name:	Pyrimidine-4-carbaldehyde
CAS:	2435-50-9
Synonyms:	4-pyrimidinecarboxaldehyde; pyrimidine-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	pyrimidine-4-carbaldehyde
Description:	Pyrimidine-4-carbaldehyde (CAS# 2435-50-9) is a useful research chemical.
Molecular Weight:	108.10
Molecular Formula:	C5H4N2O
Canonical SMILES:	C1=CN=CN=C1C=O
InChI:	InChI=1S/C5H4N2O/c8-3-5-1-2-6-4-7-5/h1-4H
InChI Key:	OKULHRWWYCFJAB-UHFFFAOYSA-N
Boiling Point:	225.3 °C at 760 mmHg
Density:	1.234 g/cm³
MDL:	MFCD03789624
LogP:	0.28910

Publication Number	Title	Priority Date
CN-106554382-B	Application in nucleoside phosphoramidite class compound and preparation method thereof and drug	20150929
WO-2015179559-A2	Pyrazole compounds and methods of making and using same	20140521
WO-2015057992-A1	Btk inhibitors for hematopoietic mobilization	20131016
EP-2888245-A1	New bicyclicpyridine derivatives	20120824
WO-2014029723-A1	New bicyclicpyridine derivatives	20120824

PMID	Publication Date	Title	Journal
12009916	20020521	The A167Y mutation converts the herpes simplex virus type 1 thymidine kinase into a guanosine analogue kinase	Biochemistry

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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:	84.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.032362755
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.032362755
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7