1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione

C16H26N2O4SSi — CID 24823051

IUPAC1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CS2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O4SSi/c1-10-8-18(15(21)17-14(10)20)13-7-12(11(19)9-23-13)22-24(5,6)16(2,3)4/h8,12-13H,7,9H2,1-6H3,(H,17,20,21)/t12-,13+/m0/s1
InChIKeyKJHYTOMTIZLCGG-QWHCGFSZSA-N
MW370.55 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 24823051) has the molecular formula C16H26N2O4SSi and a molecular weight of 370.55 g/mol. Its IUPAC name is 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID24823051
Molecular FormulaC16H26N2O4SSi
Molecular Weight370.55 g/mol
Exact Mass370.14
IUPAC Name1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CS2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O4SSi/c1-10-8-18(15(21)17-14(10)20)13-7-12(11(19)9-23-13)22-24(5,6)16(2,3)4/h8,12-13H,7,9H2,1-6H3,(H,17,20,21)/t12-,13+/m0/s1
InChIKeyKJHYTOMTIZLCGG-QWHCGFSZSA-N
XLogP2.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11313759
1-[(2R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140704946
3-[(2R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoic acid
CID 57251904
methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
CID 164745352
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159995307
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(fluoromethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 177390760
1-[(2R,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22853714
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4S,5R)-4,5-dimethyl-2-sulfanylidene-1,3,2λ5-oxathiaphospholan-2-yl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 150980959
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134971257
[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) phosphite
CID 11757634
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101256369

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione (CID 24823051) is 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CS2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KJHYTOMTIZLCGG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N2O4SSi/c1-10-8-18(15(21)17-14(10)20)13-7-12(11(19)9-23-13)22-24(5,6)16(2,3)4/h8,12-13H,7,9H2,1-6H3,(H,17,20,21)/t12-,13+/m0/s1.
What are the key properties of 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 370.55 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxothian-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 24823051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).