1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C21H37N3O6Si — CID 166470324

IUPAC1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC1C(O[Si](C)(C)C(C)(C)C)[C@@H](CON2CCCCC2)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C21H37N3O6Si/c1-21(2,3)31(5,6)30-17-15(14-28-23-11-8-7-9-12-23)29-19(18(17)27-4)24-13-10-16(25)22-20(24)26/h10,13,15,17-19H,7-9,11-12,14H2,1-6H3,(H,22,25,26)/t15-,17?,18?,19-/m1/s1
InChIKeyBEZUAWMSPROHRV-JYPHPWERSA-N
MW455.63 g/mol
LogP2.26
Rot. Bonds7

About 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 166470324) has the molecular formula C21H37N3O6Si and a molecular weight of 455.63 g/mol. Its IUPAC name is 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID166470324
Molecular FormulaC21H37N3O6Si
Molecular Weight455.63 g/mol
Exact Mass455.25
IUPAC Name1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC1C(O[Si](C)(C)C(C)(C)C)[C@@H](CON2CCCCC2)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C21H37N3O6Si/c1-21(2,3)31(5,6)30-17-15(14-28-23-11-8-7-9-12-23)29-19(18(17)27-4)24-13-10-16(25)22-20(24)26/h10,13,15,17-19H,7-9,11-12,14H2,1-6H3,(H,22,25,26)/t15-,17?,18?,19-/m1/s1
InChIKeyBEZUAWMSPROHRV-JYPHPWERSA-N
XLogP2.26
TPSA95.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 123536148
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 157163438
1-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 10719208
[(2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 6429500
1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 174108056
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 174108053
1-[(2R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174121059
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 101203363
2-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]acetic acid
CID 10525035
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-3-oxopropanoate
CID 123630943

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 166470324) is 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is COC1C(O[Si](C)(C)C(C)(C)C)[C@@H](CON2CCCCC2)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is BEZUAWMSPROHRV-JYPHPWERSA-N. The full InChI is InChI=1S/C21H37N3O6Si/c1-21(2,3)31(5,6)30-17-15(14-28-23-11-8-7-9-12-23)29-19(18(17)27-4)24-13-10-16(25)22-20(24)26/h10,13,15,17-19H,7-9,11-12,14H2,1-6H3,(H,22,25,26)/t15-,17?,18?,19-/m1/s1.
What are the key properties of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 455.63 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(piperidin-1-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 166470324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).