2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione

C22H24N6O4 — CID 166426435

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione
SMILESCc1nccc(NCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C22H24N6O4/c1-13-23-12-9-17(26-13)25-11-3-2-10-24-15-6-4-5-14-19(15)22(32)28(21(14)31)16-7-8-18(29)27-20(16)30/h4-6,9,12,16,24H,2-3,7-8,10-11H2,1H3,(H,23,25,26)(H,27,29,30)
InChIKeyVBGHLNWURQRQHP-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.49
Rot. Bonds8

About 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione (PubChem CID 166426435) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione
PubChem CID166426435
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione
SMILESCc1nccc(NCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C22H24N6O4/c1-13-23-12-9-17(26-13)25-11-3-2-10-24-15-6-4-5-14-19(15)22(32)28(21(14)31)16-7-8-18(29)27-20(16)30/h4-6,9,12,16,24H,2-3,7-8,10-11H2,1H3,(H,23,25,26)(H,27,29,30)
InChIKeyVBGHLNWURQRQHP-UHFFFAOYSA-N
XLogP1.49
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione with MolForge

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Related Compounds

10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
4-[3-(diethylamino)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168941433
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
2-(2,6-dioxopiperidin-3-yl)-4-(4-tritiobutylamino)isoindole-1,3-dione
CID 156686292
4-[7-(cyclohexylamino)heptylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156788817
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanal;methanol
CID 168902985
tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
4-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166426424
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
2-(2,6-dioxopiperidin-3-yl)-4-[4-(pyrido[3,2-d]pyrimidin-4-ylamino)butylamino]isoindole-1,3-dione
CID 167779754

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione (CID 166426435) is 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione is Cc1nccc(NCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione?
The InChIKey is VBGHLNWURQRQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-13-23-12-9-17(26-13)25-11-3-2-10-24-15-6-4-5-14-19(15)22(32)28(21(14)31)16-7-8-18(29)27-20(16)30/h4-6,9,12,16,24H,2-3,7-8,10-11H2,1H3,(H,23,25,26)(H,27,29,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione has a molecular weight of 436.47 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-methylpyrimidin-4-yl)amino]butylamino]isoindole-1,3-dione is sourced from PubChem (CID 166426435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).