N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide

HCID 597195
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Grundinformationen

CAS
1886-34-6
Standard-SMILES
Cc1ncc(CNC=O)c(N)n1
InChIKey
PVWNFAGYFUUDRC-UHFFFAOYSA-N
Summenformel
C7H10N4O
Durchschnittliche Molmasse
166,18 g/mol
Monoisotopische Masse
166,08546094

Überblick

4-amino-5-formamidomethyl-2-methylpyrimidine is a member of the class of aminopyrimidine with the amino group at position 4 with additional methyl and formamidomethyl substituents at positions 2 and 5 respectively. It has a role as a bacterial xenobiotic metabolite. It is a member of formamides and an aminopyrimidine.

Namen und Bezeichner

Bevorzugter Name
N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide
IUPAC
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
Englischer Name
4-AMino-5-(forMaMidoMethyl)-2-MethylpyriMidine
Summenformel
C7H10N4O
Molmasse
166.18

Namen und Synonyme

1886-34-64-AMino-5-(forMaMidoMethyl)-2-MethylpyriMidine2-Methyl-4-amino-5-(formylaminomethyl)pyrimidineJJO1TS4A8Y4-Amino-5-((formylamino)methyl)-2-methylpyrimidineN-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamideN-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formamideDTXSID201224867Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-RefChem:1090691DTXCID601656133606-149-3
Weitere Namen anzeigen
synthesis-003synthesis-1-003Thiamine Impurity 7Thiamine Impurity 9Vitamin B1 Impurity 15Thiamine Nitrate Impurity 9Thiamine /Vitamin B1 Impurity 18Thiamine hydrochloride Impurity 1Cocarboxylase Tetrahydrate Impurity 2
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamideFormylaminopyrimidineN-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamideN-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine4-Amino-5-formamidomethyl-2-methylpyrimidine2-methyl-4-amino-5-formylaminomethylpyrimidineThiamine Impurity 12N-formyl Grewe-diamine

Datenbank-Bezeichner

CAS
1886-34-6
PubChem CID
597195
DTXSID
DTXSID201224867
ChEBI
CHEBI:85895
UNII
JJO1TS4A8Y
EC Number
606-149-3
Nikkaji
J2.599.150H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,1
Polarare Oberfläche (TPSA)
80,9 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
227 · 227-228 °C
Siedepunkt
452 · 452.0±35.0 °C(Predicted)
Dichte
1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
Löslichkeit
DMSO (Slightly), Methanol (Very Slightly, Sonicated)
Aggregatzustand
Solid

Chemie und Industrie

Anwendungen

Verwenden4-Amino-5-(formamidomethyl)-2-methylpyrimidine is a metabolite of thiamine (T344185), a essential nutrient required for carbohydrate metabolism; also involved in nerve function.

Anbieter44 Anbieter

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

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CAS 1886-34-6 N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide (HCID 597195)｜Huagongshe