Pyrimidine

CAT: 0931-T4809-02Size: 2 gDry Ice: NoHazardous: No

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CAT#:0931-T4809-02Size:2 g

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CAS Number

289-95-2

Target

Endogenous Metabolite

Related Pathways

Metabolism

Purity

0.9985

Bioactivity

Pyrimidine (Metadiazine) s are heterocyclic, six-membered, nitrogen-containing carbon ring structures, with uracil, cytosine and thymine being the basal structures of ribose-containing nucleosides (uridine, cytidine, and thymidine respectively), or deoxyribose-containing deoxynucleosides, and their corresponding ribonucleotides or deoxyribonucleotides. Pyrimidines serve essential functions in human metabolism as ribonucleotide bases in RNA (uracil and cytosine), and as deoxyribonucleotide bases in DNA (cytosine and thymine), and are linked by phosphodiester bridges to purine nucleotides in double-stranded DNA, in both the nucleus and the mitochondria. Pyrimidine activated sugars are also involved in polysaccharide and phospholipid synthesis, glucuronidation in detoxification processes, glycosylation of proteins and lipids and in the recently identified novel endothelium-derived vasoactive dinucleotides.

Smiles

C=1C=NC=NC1

Molecular Formula

C4H4N2

Molecular Weight

80.09

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pyrimidine

Pyrimidine is the parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. It has a role as a Daphnia magna metabolite. It is a diazine and a member of pyrimidines.

CAS Number	289-95-2
PubChem CID	9260
IUPAC Name	pyrimidine
Molecular Formula	C4H4N2
Molecular Weight	80.09
XLogP	-0.4
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	32

SMILES

C1=CN=CN=C1

InChI

InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

InChIKey

CZPWVGJYEJSRLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 289-95-2

CID: 9260

Formula: C4H4N2

MW: 80.09

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	80.09
XLogP3	-0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	80.037448136
Monoisotopic Mass	80.037448136
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	32.5
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

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Catalog	Name
TRC-P997330-1G	Pyrimidine
AR-N01498-01	Pyrimidine Impurity
HY-Y0519R-01	Pyrimidine (Standard)
ZDA98435-01	5- (Benzyloxy) pyrimidine
QBA92949-01	Pyrimidine-5-carboxamide
ND57369-01	4- (Dimethoxymethyl) pyrimidine
HY-78975-01	2- (Hydroxymethyl) -pyrimidine
HY-118295	Pyrimidine-indole hybrid
HY-P3178	Pyrimidine nucleoside phosphorylase
296187-01	5- (Hydroxymethyl) pyrimidine

Pyrimidine

Chemical Information

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