2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide

C28H27N7O4 — CID 156698695

About 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide

2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide (PubChem CID 156698695) has the molecular formula C28H27N7O4 and a molecular weight of 525.57 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
• PubChem CID: 156698695
• Molecular Formula: C28H27N7O4
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.21
• IUPAC Name: 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
• SMILES: NC(=O)C(Nc1ccnc(Nc2ccc3c(c2)CCC3)n1)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C28H27N7O4/c29-25(37)24(32-22-11-12-30-28(33-22)31-17-8-7-15-3-1-4-16(15)13-17)18-5-2-6-19-20(18)14-35(27(19)39)21-9-10-23(36)34-26(21)38/h2,5-8,11-13,21,24H,1,3-4,9-10,14H2,(H2,29,37)(H,34,36,38)(H2,30,31,32,33)
• InChIKey: HIRUJDVRVKPVLJ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 159.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide (CID 156698695) is 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide.

What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide is NC(=O)C(Nc1ccnc(Nc2ccc3c(c2)CCC3)n1)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

The InChIKey is HIRUJDVRVKPVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O4/c29-25(37)24(32-22-11-12-30-28(33-22)31-17-8-7-15-3-1-4-16(15)13-17)18-5-2-6-19-20(18)14-35(27(19)39)21-9-10-23(36)34-26(21)38/h2,5-8,11-13,21,24H,1,3-4,9-10,14H2,(H2,29,37)(H,34,36,38)(H2,30,31,32,33).

What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?

2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide has a molecular weight of 525.57 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide is sourced from PubChem (CID 156698695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).