Pyrimidine-2-carboxaldehyde

CAT: 0127-OR17838-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR17838-01Size:250 mg

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CAS Number

27427-92-5

Synonyms

2-Formylpyrimidine, 2-Formyl-1,3-diazine

MDL Number

MFCD07778416

Purity

95%

Smiles

O=Cc1ncccn1

Storage Conditions

Store at 2-8°C

Chemical Information

Pyrimidine-2-carbaldehyde

CAS Number	27427-92-5
PubChem CID	13751953
IUPAC Name	pyrimidine-2-carbaldehyde
Molecular Formula	C5H4N2O
Molecular Weight	108.10
XLogP	0
Topological Polar Surface Area	42.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	78

SMILES

C1=CN=C(N=C1)C=O

InChI

InChI=1S/C5H4N2O/c8-4-5-6-2-1-3-7-5/h1-4H

InChIKey

CCOXWRVWKFVFDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27427-92-5

CID: 13751953

Formula: C5H4N2O

MW: 108.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.10
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	108.032362755
Monoisotopic Mass	108.032362755
Topological Polar Surface Area	42.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR7987-01	Pyrimidine-4-carboxaldehyde
OR30814	2- (Phenylamino) pyrimidine-5-carboxaldehyde
OR7659-01	Pyrimidine-5-carboxaldehyde
OR14935	2- (Thien-2-yl) pyrimidine-5-carboxaldehyde
OR14939	2- (Pyrrolidin-1-yl) pyrimidine-5-carboxaldehyde
OR1085451	2,4-Di (tert-butoxy) pyrimidine-5-carboxaldehyde
OR5051-01	Pyridine-2-carboxaldehyde
OR28310	2-Morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxaldehyde
OR29972	4,6-dichloro-2- (methylthio) pyrimidine-5-carboxaldehyde 5-phenylhydrazone
OR510188	2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde

Catalog	Name
286546-01	Pyrimidine-5-carboxaldehyde
414298-01	2- (Methylamino) pyrimidine-4-carboxaldehyde
sc-259380	2- (Thien-2-yl) pyrimidine-5-carboxaldehyde
TRC-M286915-250MG	4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxaldehyde
sc-206774	4- (Methylamino) -2- (methylthio) pyrimidine-5-carboxaldehyde
sc-259357A	2- (Pyrrolidin-1-yl) pyrimidine-5-carboxaldehyde
sc-470785	4-Amino-2- (methylthio) pyrimidine-5-carboxaldehyde
241425-01	Pyrimidine-5-carboxaldehyde 98+% (GC)
TYD-03800-01	2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde
JZB61643-01	3-bromo-pyrazolo[1,5-a]pyrimidine-6-carboxaldehyde