N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide

C26H34N4O5Si — CID 58877589

About N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide

N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide (PubChem CID 58877589) has the molecular formula C26H34N4O5Si and a molecular weight of 510.67 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
• PubChem CID: 58877589
• Molecular Formula: C26H34N4O5Si
• Molecular Weight: 510.67 g/mol
• Exact Mass: 510.23
• IUPAC Name: N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
• SMILES: CNc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)[Si](C)(C)CC4C(C)C)o2)c(OC)n1
• InChI: InChI=1S/C26H34N4O5Si/c1-14(2)17-13-36(7,8)20-11-15(3)19(12-16(17)20)35-21-10-9-18(34-21)23(31)28-22-24(32-5)29-26(27-4)30-25(22)33-6/h9-12,14,17H,13H2,1-8H3,(H,28,31)(H,27,29,30)
• InChIKey: NXIUJAPZNOOPJB-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 107.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.67
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?

The IUPAC name of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide (CID 58877589) is N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide.

What is the SMILES notation for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?

The canonical SMILES for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide is CNc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)[Si](C)(C)CC4C(C)C)o2)c(OC)n1.

What is the InChIKey of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?

The InChIKey is NXIUJAPZNOOPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5Si/c1-14(2)17-13-36(7,8)20-11-15(3)19(12-16(17)20)35-21-10-9-18(34-21)23(31)28-22-24(32-5)29-26(27-4)30-25(22)33-6/h9-12,14,17H,13H2,1-8H3,(H,28,31)(H,27,29,30).

What are the key properties of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?

N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide has a molecular weight of 510.67 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 58877589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).