1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione

About 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione (PubChem CID 59189535) has the molecular formula C28H44N2O5Si and a molecular weight of 516.76 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name	1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione
PubChem CID	59189535
Molecular Formula	C28H44N2O5Si
Molecular Weight	516.76 g/mol
Exact Mass	516.30
IUPAC Name	1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione
SMILES	CC[C@H]1O[C@@H](n2cc(COCc3ccccc3C(C)(C)C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChI	InChI=1S/C28H44N2O5Si/c1-10-22-23(35-36(8,9)28(5,6)7)15-24(34-22)30-16-20(25(31)29-26(30)32)18-33-17-19-13-11-12-14-21(19)27(2,3)4/h11-14,16,22-24H,10,15,17-18H2,1-9H3,(H,29,31,32)/t22-,23-,24-/m1/s1
InChIKey	ULVCXVZGZYJOOX-WXFUMESZSA-N
XLogP	5.64
TPSA	82.55 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.76
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione (CID 59189535) is 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione is CC[C@H]1O[C@@H](n2cc(COCc3ccccc3C(C)(C)C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione?

The InChIKey is ULVCXVZGZYJOOX-WXFUMESZSA-N. The full InChI is InChI=1S/C28H44N2O5Si/c1-10-22-23(35-36(8,9)28(5,6)7)15-24(34-22)30-16-20(25(31)29-26(30)32)18-33-17-19-13-11-12-14-21(19)27(2,3)4/h11-14,16,22-24H,10,15,17-18H2,1-9H3,(H,29,31,32)/t22-,23-,24-/m1/s1.

What are the key properties of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione?

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione has a molecular weight of 516.76 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 59189535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).