(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane

C55H68N6O10Si2 — CID 159585544

IUPAC(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane
SMILESC.CC(C)(C)[Si](O[C@@H]1C[C@@H](C=O)N(C(=O)Cn2ccc(=O)[nH]c2=O)C1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H]1C[C@@H](CO)N(C(=O)Cn2ccc(=O)[nH]c2=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O5Si.C27H31N3O5Si.CH4/c2*1-27(2,3)36(22-10-6-4-7-11-22,23-12-8-5-9-13-23)35-21-16-20(19-31)30(17-21)25(33)18-29-15-14-24(32)28-26(29)34;/h4-15,20-21,31H,16-19H2,1-3H3,(H,28,32,34);4-15,19-21H,16-18H2,1-3H3,(H,28,32,34);1H4/t2*20-,21+;/m00./s1
InChIKeyMJOILQQXTDYZHV-LQMAPGKCSA-N
MW1029.35 g/mol
LogP2.99
Rot. Bonds14

About (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane

(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane (PubChem CID 159585544) has the molecular formula C55H68N6O10Si2 and a molecular weight of 1029.35 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane
PubChem CID159585544
Molecular FormulaC55H68N6O10Si2
Molecular Weight1029.35 g/mol
Exact Mass1028.45
IUPAC Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane
SMILESC.CC(C)(C)[Si](O[C@@H]1C[C@@H](C=O)N(C(=O)Cn2ccc(=O)[nH]c2=O)C1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H]1C[C@@H](CO)N(C(=O)Cn2ccc(=O)[nH]c2=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O5Si.C27H31N3O5Si.CH4/c2*1-27(2,3)36(22-10-6-4-7-11-22,23-12-8-5-9-13-23)35-21-16-20(19-31)30(17-21)25(33)18-29-15-14-24(32)28-26(29)34;/h4-15,20-21,31H,16-19H2,1-3H3,(H,28,32,34);4-15,19-21H,16-18H2,1-3H3,(H,28,32,34);1H4/t2*20-,21+;/m00./s1
InChIKeyMJOILQQXTDYZHV-LQMAPGKCSA-N
XLogP2.99
TPSA206.10 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane?
The IUPAC name of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane (CID 159585544) is (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane?
The canonical SMILES for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane is C.CC(C)(C)[Si](O[C@@H]1C[C@@H](C=O)N(C(=O)Cn2ccc(=O)[nH]c2=O)C1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H]1C[C@@H](CO)N(C(=O)Cn2ccc(=O)[nH]c2=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane?
The InChIKey is MJOILQQXTDYZHV-LQMAPGKCSA-N. The full InChI is InChI=1S/C27H33N3O5Si.C27H31N3O5Si.CH4/c2*1-27(2,3)36(22-10-6-4-7-11-22,23-12-8-5-9-13-23)35-21-16-20(19-31)30(17-21)25(33)18-29-15-14-24(32)28-26(29)34;/h4-15,20-21,31H,16-19H2,1-3H3,(H,28,32,34);4-15,19-21H,16-18H2,1-3H3,(H,28,32,34);1H4/t2*20-,21+;/m00./s1.
What are the key properties of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane?
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane has a molecular weight of 1029.35 g/mol, XLogP of 2.99, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carbaldehyde;1-[2-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane is sourced from PubChem (CID 159585544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).