5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione

C35H42N2O3SSi — CID 11635730

IUPAC5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](SCC[Si](C)(C)C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C35H42N2O3SSi/c1-26-24-37(34(39)36-33(26)38)31-22-27(32(23-31)41-20-21-42(2,3)4)25-40-35(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,24,27,31-32H,20-23,25H2,1-4H3,(H,36,38,39)/t27-,31-,32+/m1/s1
InChIKeyURFUVWZFMQXHKZ-HPENDQLSSA-N
MW598.89 g/mol
LogP7.24
Rot. Bonds11

About 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione

5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione (PubChem CID 11635730) has the molecular formula C35H42N2O3SSi and a molecular weight of 598.89 g/mol. Its IUPAC name is 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione
PubChem CID11635730
Molecular FormulaC35H42N2O3SSi
Molecular Weight598.89 g/mol
Exact Mass598.27
IUPAC Name5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](SCC[Si](C)(C)C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C35H42N2O3SSi/c1-26-24-37(34(39)36-33(26)38)31-22-27(32(23-31)41-20-21-42(2,3)4)25-40-35(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,24,27,31-32H,20-23,25H2,1-4H3,(H,36,38,39)/t27-,31-,32+/m1/s1
InChIKeyURFUVWZFMQXHKZ-HPENDQLSSA-N
XLogP7.24
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.89
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-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-[(1S,3S,4R)-3-azido-4-(trityloxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 54221501
1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11755083
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 514178
[(1S,2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)cyclohexyl] (2R)-2-methoxy-2-phenylacetate
CID 100970250
1-[(2R,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7072407
1-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14352037
2-[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxyisoindole-1,3-dione
CID 68836402
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(methylsulfanylmethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14756973
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium
CID 14606960
trimethyl-[2-[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxyethyl]azanium iodide
CID 10009915
1-[3-fluoro-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14752959
[(2S,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 92906881

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione (CID 11635730) is 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione is Cc1cn([C@@H]2C[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](SCC[Si](C)(C)C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione?
The InChIKey is URFUVWZFMQXHKZ-HPENDQLSSA-N. The full InChI is InChI=1S/C35H42N2O3SSi/c1-26-24-37(34(39)36-33(26)38)31-22-27(32(23-31)41-20-21-42(2,3)4)25-40-35(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,24,27,31-32H,20-23,25H2,1-4H3,(H,36,38,39)/t27-,31-,32+/m1/s1.
What are the key properties of 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione?
5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione has a molecular weight of 598.89 g/mol, XLogP of 7.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1R,3S,4R)-3-(2-trimethylsilylethylsulfanyl)-4-(trityloxymethyl)cyclopentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11635730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).