[4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea

C26H35ClN6O3Si — CID 23551739

About [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea

[4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea (PubChem CID 23551739) has the molecular formula C26H35ClN6O3Si and a molecular weight of 543.14 g/mol. Its IUPAC name is [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea.

Molecular Properties

• Compound Name: [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea
• PubChem CID: 23551739
• Molecular Formula: C26H35ClN6O3Si
• Molecular Weight: 543.14 g/mol
• Exact Mass: 542.22
• IUPAC Name: [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea
• SMILES: C[Si](C)(C)CCOCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCC(NC(N)=O)CC3)nc21
• InChI: InChI=1S/C26H35ClN6O3Si/c1-37(2,3)13-12-36-16-33-23-17(14-21(24(33)34)20-6-4-5-7-22(20)27)15-29-26(32-23)31-19-10-8-18(9-11-19)30-25(28)35/h4-7,14-15,18-19H,8-13,16H2,1-3H3,(H3,28,30,35)(H,29,31,32)
• InChIKey: RDDSSKRXOOFVBE-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 124.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.14
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea?

The IUPAC name of [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea (CID 23551739) is [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea.

What is the SMILES notation for [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea?

The canonical SMILES for [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea is C[Si](C)(C)CCOCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCC(NC(N)=O)CC3)nc21.

What is the InChIKey of [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea?

The InChIKey is RDDSSKRXOOFVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O3Si/c1-37(2,3)13-12-36-16-33-23-17(14-21(24(33)34)20-6-4-5-7-22(20)27)15-29-26(32-23)31-19-10-8-18(9-11-19)30-25(28)35/h4-7,14-15,18-19H,8-13,16H2,1-3H3,(H3,28,30,35)(H,29,31,32).

What are the key properties of [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea?

[4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea has a molecular weight of 543.14 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea is sourced from PubChem (CID 23551739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).