1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C41H55N3O7Si — CID 174218676

About 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 174218676) has the molecular formula C41H55N3O7Si and a molecular weight of 729.99 g/mol. Its IUPAC name is 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 174218676
• Molecular Formula: C41H55N3O7Si
• Molecular Weight: 729.99 g/mol
• Exact Mass: 729.38
• IUPAC Name: 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: COc1ccc(C(OC[C@]2(C(O[SiH2]C(C)C)(C(C)C)C(C)C)CNC[C@H](n3cc(C)c(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C41H55N3O7Si/c1-27(2)41(28(3)4,51-52-29(5)6)39(25-42-23-36(50-39)44-24-30(7)37(45)43-38(44)46)26-49-40(31-13-11-10-12-14-31,32-15-19-34(47-8)20-16-32)33-17-21-35(48-9)22-18-33/h10-22,24,27-29,36,42H,23,25-26,52H2,1-9H3,(H,43,45,46)/t36-,39+/m1/s1
• InChIKey: QSYKUMULJFBNEA-VWMWMKPNSA-N
• XLogP: 5.71
• TPSA: 113.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.99
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 174218676) is 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione is COc1ccc(C(OC[C@]2(C(O[SiH2]C(C)C)(C(C)C)C(C)C)CNC[C@H](n3cc(C)c(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is QSYKUMULJFBNEA-VWMWMKPNSA-N. The full InChI is InChI=1S/C41H55N3O7Si/c1-27(2)41(28(3)4,51-52-29(5)6)39(25-42-23-36(50-39)44-24-30(7)37(45)43-38(44)46)26-49-40(31-13-11-10-12-14-31,32-15-19-34(47-8)20-16-32)33-17-21-35(48-9)22-18-33/h10-22,24,27-29,36,42H,23,25-26,52H2,1-9H3,(H,43,45,46)/t36-,39+/m1/s1.

What are the key properties of 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 729.99 g/mol, XLogP of 5.71, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(2,4-dimethyl-3-propan-2-ylsilyloxypentan-3-yl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 174218676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).