4-Chlor-6-methylpyrimidin-2-ylamin

2-Amino-4-chloro-6-methylpyrimidine

HCID 21810CAS 5600-21-5

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Grundinformationen

Standard-SMILES: Cc1cc(Cl)nc(N)n1
InChIKey: NPTGVVKPLWFPPX-UHFFFAOYSA-N
Summenformel: C5H6ClN3
Durchschnittliche Molmasse: 143,57 g/mol
Monoisotopische Masse: 143,02502487

Überblick

2-amino-4-chloro-6-methylpyrimidine is an aminopyrimidine compound having its amino group at position 2 and chloro and methyl substituents at positions 4 and 6 respectively. It has a role as a nitrification inhibitor.

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-chloro-6-methylpyrimidine
IUPAC: 4-chloro-6-methylpyrimidin-2-amine
Lokaler Name: 4-Chlor-6-methylpyrimidin-2-ylamin
Englischer Name: 2-Amino-4-chloro-6-methylpyrimidine
Summenformel: C5H6ClN3
Molmasse: 143.57

Namen und Synonyme

2-AMINO-4-CHLORO-6-METHYLPYRIMIDINE5600-21-54-chloro-6-methylpyrimidin-2-amine2-Pyrimidinamine, 4-chloro-6-methyl-4-Chloro-6-methyl-2-pyrimidinamine8ZBB1FM476NSC-7892NSC-23661DTXSID5022229CHEBI:58960RefChem:85190DTXCID802229

Weitere Namen anzeigen

AMACLPProAM-N20Rhod-4™AKOS MSC-0728Cal-630™Fura-10™AM (inhibitor)

227-018-34-chloro-6-methyl-2-pyridinamineAM (inhibitor)AM (pesticide)prepn. AM4-Chloro-6-methylpyrimidin-2-ylamineAM (nitrification inhibitor)MFCD00006091

Datenbank-Bezeichner

CAS: 5600-21-5
PubChem CID: 21810
DTXSID: DTXSID5022229
ChEMBL: CHEMBL1723906
ChEBI: CHEBI:58960
UNII: 8ZBB1FM476
EC Number: 227-018-3
Nikkaji: J616E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 98,2

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCrystal structure

Physikochemische Eigenschaften

Schmelzpunkt: 183 · 183-186 °C (lit.)
Siedepunkt: 234.32 °C · 234.32°C (rough estimate)
Dichte: 1.2986 · 1.2986 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 50 mg/mL, · acetic acid: soluble50mg/mL, clear, colorless to faintly yellow
pka: 4.26 · 4.26±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
Biologische Quelle: rabbit
Wasserlöslichkeit: Insoluble in water.
BRN: 114297 · 114297
InChI: InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
InChIKey: NPTGVVKPLWFPPX-UHFFFAOYSA-N
SMILES: C1(N)=NC(C)=CC(Cl)=N1
CAS Datenbank: 5600 · 5600-21-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Amino-4-chloro-6-methylpyrimidine(5600-21-5)

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 9 reports by companies from 6 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: 3
hs_code: 29335995
RTECS-Nr.: UV6329600
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 22-24/25-37/39-26-36
hazard_class: IRRITANT, AVOID SKIN CONTACT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2-Amino-4-chloro-6-methylpyrimidine was used to study the influence of chlorine substitution in pyrimidine ring on proton donor ability of amino group in 2-aminopyrimidine.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Ethylacetoacetat Natrium Phosphorylchlorid Guanidiniumchlorid Diethylether 4-Chloro-2-ethylsulfanyl-6-methyl-pyrimidine 2-Amino-6-methylpyrimidin-4-ol 2-Chloro-6-methylpyrimidin-4-ylamine 2,4-Dichlor-6-methylpyrimidin

Nachgelagerte Produkte

SGI-1027 4,6-Dimethylpyrimidin-2-ylamin 2-amino-4-methyl-6-ethylaminopyrimidine 2-AMINO-4-PIPERIDINO-6-METHYLPYRIMIDINE N-(4-chloro-6-methyl-pyrimidin-2-yl)-acetamide

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An aminopyrimidine compound having its amino group at position 2 and chloro and methyl substituents at positions 4 and 6 respectively.