N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide

C27H40N4O4Si — CID 136509280

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136509280) has the molecular formula C27H40N4O4Si and a molecular weight of 512.73 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
• PubChem CID: 136509280
• Molecular Formula: C27H40N4O4Si
• Molecular Weight: 512.73 g/mol
• Exact Mass: 512.28
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OCCN(C(=O)c1nc(CC2(c3ccccn3)CCCC2)[nH]c(=O)c1O)C1CC1
• InChI: InChI=1S/C27H40N4O4Si/c1-26(2,3)36(4,5)35-17-16-31(19-11-12-19)25(34)22-23(32)24(33)30-21(29-22)18-27(13-7-8-14-27)20-10-6-9-15-28-20/h6,9-10,15,19,32H,7-8,11-14,16-18H2,1-5H3,(H,29,30,33)
• InChIKey: PAZIWYSCPLWQON-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 108.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.73
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide (CID 136509280) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide is CC(C)(C)[Si](C)(C)OCCN(C(=O)c1nc(CC2(c3ccccn3)CCCC2)[nH]c(=O)c1O)C1CC1.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?

The InChIKey is PAZIWYSCPLWQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O4Si/c1-26(2,3)36(4,5)35-17-16-31(19-11-12-19)25(34)22-23(32)24(33)30-21(29-22)18-27(13-7-8-14-27)20-10-6-9-15-28-20/h6,9-10,15,19,32H,7-8,11-14,16-18H2,1-5H3,(H,29,30,33).

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 512.73 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136509280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).