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1-Ethyl-2-imino-N-[2-(4-morpholinyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide

HCID 1077481
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Basic information

CAS
618383-63-4
Standard SMILES
CCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc21
InChIKey
WXQNARHFQBAFTE-UHFFFAOYSA-N
Molecular formula
C20H24N6O3
Average molar mass
396.4 g/mol
Monoisotopic mass
396.19098865

Names & identifiers

Preferred name
1-Ethyl-2-imino-N-[2-(4-morpholinyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
IUPAC
7-ethyl-6-imino-N-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Names & synonyms

618383-63-41-ethyl-2-imino-N-[2-(4-morpholinyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide1-ETHYL-2-IMINO-N-(2-(4-MORPHOLINYL)ETHYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDINE-3-CARBOXAMIDERefChem:432391649-353-81-Ethyl-2-imino-N-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamideMFCD03509900STK815298AKOS000528946ZINC000000788790ST50092014AS-871/41400025
Show more names
Z577852741ethyl2iminoN(2(morpholin4yl)ethyl)5oxo15dihydro2Hdipyrido(12a23d)pyrimidine3carboxamide1ethyl2iminoN(2morpholinoethyl)5oxo25dihydro1Hdipyrido(12a23d)pyrimidine3carboxamide1-ethyl-2-imino-N-[2-(morpholin-4-yl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide7-ethyl-6-imino-N-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Database identifiers

CAS
618383-63-4
PubChem CID
1077481

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
892

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

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Compound notes

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EC Number
649-353-8