4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine

C27H38F3N7O4Si — CID 69264722

About 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine

4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine (PubChem CID 69264722) has the molecular formula C27H38F3N7O4Si and a molecular weight of 609.73 g/mol. Its IUPAC name is 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
• PubChem CID: 69264722
• Molecular Formula: C27H38F3N7O4Si
• Molecular Weight: 609.73 g/mol
• Exact Mass: 609.27
• IUPAC Name: 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
• SMILES: COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCOCC2CO[Si](C)(C)C(C)(C)C)c1F)c1ncc(F)cc1F
• InChI: InChI=1S/C27H38F3N7O4Si/c1-16-10-21(36-35-16)32-26-33-24(37-8-9-39-13-18(37)14-40-42(6,7)27(2,3)4)22(30)25(34-26)41-20(15-38-5)23-19(29)11-17(28)12-31-23/h10-12,18,20H,8-9,13-15H2,1-7H3,(H2,32,33,34,35,36)
• InChIKey: OKXMRCMNJJYVLY-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 119.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.73
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

The IUPAC name of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine (CID 69264722) is 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine.

What is the SMILES notation for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

The canonical SMILES for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine is COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCOCC2CO[Si](C)(C)C(C)(C)C)c1F)c1ncc(F)cc1F.

What is the InChIKey of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

The InChIKey is OKXMRCMNJJYVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F3N7O4Si/c1-16-10-21(36-35-16)32-26-33-24(37-8-9-39-13-18(37)14-40-42(6,7)27(2,3)4)22(30)25(34-26)41-20(15-38-5)23-19(29)11-17(28)12-31-23/h10-12,18,20H,8-9,13-15H2,1-7H3,(H2,32,33,34,35,36).

What are the key properties of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 609.73 g/mol, XLogP of 5.06, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 69264722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).