2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

C20H22N6O4 — CID 122327950

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C20H22N6O4/c27-18(12-26-19(28)14-3-1-2-4-15(14)20(26)29)22-6-5-21-16-11-17(24-13-23-16)25-7-9-30-10-8-25/h1-4,11,13H,5-10,12H2,(H,22,27)(H,21,23,24)
InChIKeyDWLZBFRZQQFWCM-UHFFFAOYSA-N
MW410.43 g/mol
LogP0.14
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 122327950) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID122327950
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C20H22N6O4/c27-18(12-26-19(28)14-3-1-2-4-15(14)20(26)29)22-6-5-21-16-11-17(24-13-23-16)25-7-9-30-10-8-25/h1-4,11,13H,5-10,12H2,(H,22,27)(H,21,23,24)
InChIKeyDWLZBFRZQQFWCM-UHFFFAOYSA-N
XLogP0.14
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933
3-(3-chlorophenyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327995
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327983
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-nitrobenzamide
CID 122328147
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321189
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328012
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (CID 122327950) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCCNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is DWLZBFRZQQFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c27-18(12-26-19(28)14-3-1-2-4-15(14)20(26)29)22-6-5-21-16-11-17(24-13-23-16)25-7-9-30-10-8-25/h1-4,11,13H,5-10,12H2,(H,22,27)(H,21,23,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 410.43 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122327950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).