4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one

C25H45N3O5Si2 — CID 10007013

About 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one

4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 10007013) has the molecular formula C25H45N3O5Si2 and a molecular weight of 523.82 g/mol. Its IUPAC name is 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one
• PubChem CID: 10007013
• Molecular Formula: C25H45N3O5Si2
• Molecular Weight: 523.82 g/mol
• Exact Mass: 523.29
• IUPAC Name: 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one
• SMILES: C[Si](C)(OCC1OC(n2ccc(N)nc2=O)C(O)C1O[Si](C)(C)C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C25H45N3O5Si2/c1-34(2,18-11-7-5-8-12-18)31-17-20-23(33-35(3,4)19-13-9-6-10-14-19)22(29)24(32-20)28-16-15-21(26)27-25(28)30/h15-16,18-20,22-24,29H,5-14,17H2,1-4H3,(H2,26,27,30)
• InChIKey: VBVVTDZVYQOKBT-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 108.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.82
LogP ≤ 5	4.56
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 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one (CID 10007013) is 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one is C[Si](C)(OCC1OC(n2ccc(N)nc2=O)C(O)C1O[Si](C)(C)C1CCCCC1)C1CCCCC1.

What is the InChIKey of 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one?

The InChIKey is VBVVTDZVYQOKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O5Si2/c1-34(2,18-11-7-5-8-12-18)31-17-20-23(33-35(3,4)19-13-9-6-10-14-19)22(29)24(32-20)28-16-15-21(26)27-25(28)30/h15-16,18-20,22-24,29H,5-14,17H2,1-4H3,(H2,26,27,30).

What are the key properties of 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one?

4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 523.82 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 10007013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).