2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile

C42H50N12O2Si — CID 160898391

About 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile

2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 160898391) has the molecular formula C42H50N12O2Si and a molecular weight of 783.03 g/mol. Its IUPAC name is 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 160898391
• Molecular Formula: C42H50N12O2Si
• Molecular Weight: 783.03 g/mol
• Exact Mass: 782.39
• IUPAC Name: 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
• SMILES: CC(C)(C)[Si](C)(C)OCc1ccc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)nc1.N#Cc1cc2cnc(Nc3ccc(CO)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C24H32N6OSi.C18H18N6O/c1-24(2,3)32(4,5)31-16-17-10-11-21(26-14-17)28-23-27-15-18-12-20(13-25)30(22(18)29-23)19-8-6-7-9-19;19-8-15-7-13-10-21-18(22-16-6-5-12(11-25)9-20-16)23-17(13)24(15)14-3-1-2-4-14/h10-12,14-15,19H,6-9,16H2,1-5H3,(H,26,27,28,29);5-7,9-10,14,25H,1-4,11H2,(H,20,21,22,23)
• InChIKey: SPEHONBDPOAHDZ-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 188.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	783.03
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile (CID 160898391) is 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is CC(C)(C)[Si](C)(C)OCc1ccc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)nc1.N#Cc1cc2cnc(Nc3ccc(CO)cn3)nc2n1C1CCCC1.

What is the InChIKey of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is SPEHONBDPOAHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6OSi.C18H18N6O/c1-24(2,3)32(4,5)31-16-17-10-11-21(26-14-17)28-23-27-15-18-12-20(13-25)30(22(18)29-23)19-8-6-7-9-19;19-8-15-7-13-10-21-18(22-16-6-5-12(11-25)9-20-16)23-17(13)24(15)14-3-1-2-4-14/h10-12,14-15,19H,6-9,16H2,1-5H3,(H,26,27,28,29);5-7,9-10,14,25H,1-4,11H2,(H,20,21,22,23).

What are the key properties of 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 783.03 g/mol, XLogP of 9.13, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 160898391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).