1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione

C23H30Cl2N4O3Si — CID 156678377

About 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 156678377) has the molecular formula C23H30Cl2N4O3Si and a molecular weight of 509.51 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 156678377
• Molecular Formula: C23H30Cl2N4O3Si
• Molecular Weight: 509.51 g/mol
• Exact Mass: 508.15
• IUPAC Name: 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21
• InChI: InChI=1S/C23H30Cl2N4O3Si/c1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(24)19(25)27-20/h8,10,12-13H,9,11H2,1-7H3,(H,28,30,31)
• InChIKey: SIVWEKWZAISEMV-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione (CID 156678377) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.

What is the InChIKey of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is SIVWEKWZAISEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4O3Si/c1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(24)19(25)27-20/h8,10,12-13H,9,11H2,1-7H3,(H,28,30,31).

What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione?

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 509.51 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 156678377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).