5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

C32H34N2O4Si — CID 11006041

IUPAC5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
SMILESCc1cn([C@H]2C=C[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)nc1O[Si](C)(C)C
InChIInChI=1S/C32H34N2O4Si/c1-24-22-34(31(35)33-30(24)38-39(2,3)4)29-21-20-28(37-29)23-36-32(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-22,28-29H,23H2,1-4H3/t28-,29+/m0/s1
InChIKeyDYOLVNFBNVVDJO-URLMMPGGSA-N
MW538.72 g/mol
LogP6.23
Rot. Bonds9

About 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one (PubChem CID 11006041) has the molecular formula C32H34N2O4Si and a molecular weight of 538.72 g/mol. Its IUPAC name is 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
PubChem CID11006041
Molecular FormulaC32H34N2O4Si
Molecular Weight538.72 g/mol
Exact Mass538.23
IUPAC Name5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
SMILESCc1cn([C@H]2C=C[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)nc1O[Si](C)(C)C
InChIInChI=1S/C32H34N2O4Si/c1-24-22-34(31(35)33-30(24)38-39(2,3)4)29-21-20-28(37-29)23-36-32(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-22,28-29H,23H2,1-4H3/t28-,29+/m0/s1
InChIKeyDYOLVNFBNVVDJO-URLMMPGGSA-N
XLogP6.23
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.72
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 11091653
4-amino-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 10841185
3-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methylfuro[2,3-d]pyrimidin-2-one
CID 90975307
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-4-[7-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]oxyheptoxy]-5-methylpyrimidin-2-one
CID 66559321
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2-oxo-4-phenoxypyrimidin-1-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 12071204
1-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14352037
5-methyl-1-[(5S)-5-(phenylmethoxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 139721718
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
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-fluoro-4-(propan-2-ylamino)pyrimidin-2-one
CID 10839348
1-[3-fluoro-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14752959
[(2R,4R,5R,6S)-11-methyl-10-oxo-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] benzoate
CID 23240504

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The IUPAC name of 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one (CID 11006041) is 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one.
What is the SMILES notation for 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The canonical SMILES for 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one is Cc1cn([C@H]2C=C[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)nc1O[Si](C)(C)C.
What is the InChIKey of 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The InChIKey is DYOLVNFBNVVDJO-URLMMPGGSA-N. The full InChI is InChI=1S/C32H34N2O4Si/c1-24-22-34(31(35)33-30(24)38-39(2,3)4)29-21-20-28(37-29)23-36-32(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-22,28-29H,23H2,1-4H3/t28-,29+/m0/s1.
What are the key properties of 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one has a molecular weight of 538.72 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-trimethylsilyloxy-1-[(2R,5S)-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one is sourced from PubChem (CID 11006041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).