5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine

C21H45N3O5Si4 — CID 23401501

IUPAC5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine
SMILESC[Si](C)(C)OCC1OC(c2cnc(N)nc2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H45N3O5Si4/c1-30(2,3)25-14-16-18(27-31(4,5)6)19(28-32(7,8)9)17(26-16)15-13-23-21(22)24-20(15)29-33(10,11)12/h13,16-19H,14H2,1-12H3,(H2,22,23,24)
InChIKeyZABFQGYRNRWCCX-UHFFFAOYSA-N
MW531.95 g/mol
LogP5.00
Rot. Bonds10

About 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine

5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine (PubChem CID 23401501) has the molecular formula C21H45N3O5Si4 and a molecular weight of 531.95 g/mol. Its IUPAC name is 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine.

Molecular Properties

Compound Name5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine
PubChem CID23401501
Molecular FormulaC21H45N3O5Si4
Molecular Weight531.95 g/mol
Exact Mass531.24
IUPAC Name5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine
SMILESC[Si](C)(C)OCC1OC(c2cnc(N)nc2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H45N3O5Si4/c1-30(2,3)25-14-16-18(27-31(4,5)6)19(28-32(7,8)9)17(26-16)15-13-23-21(22)24-20(15)29-33(10,11)12/h13,16-19H,14H2,1-12H3,(H2,22,23,24)
InChIKeyZABFQGYRNRWCCX-UHFFFAOYSA-N
XLogP5.00
TPSA97.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.95
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?
The IUPAC name of 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine (CID 23401501) is 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine.
What is the SMILES notation for 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?
The canonical SMILES for 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine is C[Si](C)(C)OCC1OC(c2cnc(N)nc2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?
The InChIKey is ZABFQGYRNRWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O5Si4/c1-30(2,3)25-14-16-18(27-31(4,5)6)19(28-32(7,8)9)17(26-16)15-13-23-21(22)24-20(15)29-33(10,11)12/h13,16-19H,14H2,1-12H3,(H2,22,23,24).
What are the key properties of 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?
5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine has a molecular weight of 531.95 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine is sourced from PubChem (CID 23401501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).