5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone

HCID 135401477

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Grundinformationen

CAS: 139756-21-1
Standard-SMILES: CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIKey: MXQUEDUMKWBYHI-UHFFFAOYSA-N
Summenformel: C17H20N4O2
Durchschnittliche Molmasse: 312,37 g/mol
Monoisotopische Masse: 312,15862588

Überblick

Imidazosagatriazinone is a pyrazolopyrimidine.

Namen und Bezeichner

Bevorzugter Name: 5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
IUPAC: 5-(2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Englischer Name: 5-(2-ETHOXYPHENYL)-1-METHYL-3-N-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO[4,3-D]-7-PYRIMIDINONE
Summenformel: C17H20N4O2
Molmasse: 312.37

Namen und Synonyme

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo(4,3-d)-7-pyrimidinoneRefChem:529465628-952-8139756-21-15-(2-Ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-oneImidazosagatriazinone5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-onePDE5-IN-7MFCD030939295-(2-Ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneUK-088800

Weitere Namen anzeigen

5-(2-Ethoxyphenyl)Sildenafil pyrimidinoneDPX 84UK 088800 (Standard)UK 088800, 10 mM in DMSOSildenafil LactaM IMpurity

E4M9V1JW7VCHEMBL540795-(2-Ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinoneUK 0888005-(2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one5-(2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7h-pyrazolo[4,3-d]pyrimidin-7-one7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-5-(2-Ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-7(6H)-one

Datenbank-Bezeichner

CAS: 139756-21-1
PubChem CID: 135401477
DTXSID: DTXSID40358476
ChEMBL: CHEMBL54079
ChEBI: CHEBI:170049
UNII: E4M9V1JW7V
EC Number: 628-952-8
Nikkaji: J1.557.988I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 23
Formalladung: 0
Komplexität: 468

Physikochemische Eigenschaften

Schmelzpunkt: 141 · 141-145 °C(lit.)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 10.27 · 10.27±0.20(Predicted)
Farbe: White to Pale Beige
InChI: InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
InChIKey: MXQUEDUMKWBYHI-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2OCC)NC(=O)C2N(C)N=C(CCC)C=2N=1
CAS Datenbank: 139756 · 139756-21-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98.6%): 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 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.