4-Amino-2-methyl-5-pyrimidinemethanol

HCID 777CAS 73-67-6
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Grundinformationen

Standard-SMILES
Cc1ncc(CO)c(N)n1
InChIKey
VUTBELPREDJDDH-UHFFFAOYSA-N
Summenformel
C6H9N3O
Durchschnittliche Molmasse
139,16 g/mol
Monoisotopische Masse
139,07456191

Überblick

4-amino-5-hydroxymethyl-2-methylpyrimidine is an aminopyrimidine that is pyrimidine in which the hydrogens at positions 2, 4, and 5 are replaced by methyl, amino, and hydroxymethyl substituents, respectively. It has a role as a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite. It is an aromatic primary alcohol and an aminopyrimidine.

Namen und Bezeichner

Bevorzugter Name
4-Amino-2-methyl-5-pyrimidinemethanol
IUPAC
(4-amino-2-methylpyrimidin-5-yl)methanol
Englischer Name
4-Amino-5-Hydroxymethyl-2-methylpyrimidine
Summenformel
C6H9N3O
Molmasse
139.16

Namen und Synonyme

73-67-6Toxopyrimidine4-amino-5-hydroxymethyl-2-methylpyrimidineAtoxopyrimidine4-amino-2-methyl-5-pyrimidinemethanol2-Methyl-4-amino-5-hydroxymethylpyrimidine2-M-4-A-5-HmpG62V17J09J4-amino-2-methyl-5-hydroxymethylpyrimidineCHEBI:16892NSC-28247DTXSID80223275
Weitere Namen anzeigen
Thiamine Impurity 37Thiamine Toxopyrimidine(4-Amino-2-methyl-5-pyrimidinyl)Thiamine /Vitamin B1 Impurity 202-Methyl-4-amino-5-pyrimidinemethanolThiamine Impurity 15 (Toxopyrimidine)Diazinon Impurity 5 (Hydroxydiazinon)4-Amino-2-methylpyrimidine-5-methanol
HMP CPDRefChem:977954-A-2-MEPDTXCID80145766(4-Amino-2-methyl-5-pyrimidinyl)methanol(4-amino-2-methylpyrimidin-5-yl)methanolPyrazan5-Pyrimidinemethanol, 4-amino-2-methyl-

Datenbank-Bezeichner

CAS
73-67-6
PubChem CID
777
DTXSID
DTXSID80223275
ChEMBL
CHEMBL1233354
ChEBI
CHEBI:16892
UNII
G62V17J09J
EC Number
806-933-7
Nikkaji
J544.797F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,1
Polarare Oberfläche (TPSA)
72 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt
193 · 193-198°; mp 198-200°
Siedepunkt
326 · 326.0±27.0 °C(Predicted)
Dichte
1.285 · 1.285±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
WGK 3
hs_code
2933.59.9500
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenToxopyrimidine is intermediate in thiamin biosynthetic pathway, a cofactor crucial for several enzymes involved in carbohydrate and amino acid metabolism.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An aminopyrimidine that is pyrimidine in which the hydrogens at positions 2, 4, and 5 are replaced by methyl, amino, and hydroxymethyl substituents, respectively.

Zugehörige Reaktionen

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