1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione

C22H38N2O6Si — CID 163924720

IUPAC1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione
SMILESC=CCOCc1cn([C@H]2CC(O[Si](C)(C)C(C)(C)C)[C@@H](COC(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H38N2O6Si/c1-9-10-27-13-16-12-24(21(26)23-20(16)25)19-11-17(18(29-19)14-28-15(2)3)30-31(7,8)22(4,5)6/h9,12,15,17-19H,1,10-11,13-14H2,2-8H3,(H,23,25,26)/t17?,18-,19-/m1/s1
InChIKeyRDLJPPCEELZNMG-OMKBGSMGSA-N
MW454.64 g/mol
LogP3.34
Rot. Bonds10

About 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione

1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione (PubChem CID 163924720) has the molecular formula C22H38N2O6Si and a molecular weight of 454.64 g/mol. Its IUPAC name is 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione
PubChem CID163924720
Molecular FormulaC22H38N2O6Si
Molecular Weight454.64 g/mol
Exact Mass454.25
IUPAC Name1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione
SMILESC=CCOCc1cn([C@H]2CC(O[Si](C)(C)C(C)(C)C)[C@@H](COC(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C22H38N2O6Si/c1-9-10-27-13-16-12-24(21(26)23-20(16)25)19-11-17(18(29-19)14-28-15(2)3)30-31(7,8)22(4,5)6/h9,12,15,17-19H,1,10-11,13-14H2,2-8H3,(H,23,25,26)/t17?,18-,19-/m1/s1
InChIKeyRDLJPPCEELZNMG-OMKBGSMGSA-N
XLogP3.34
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidine-2,4-dione
CID 67265881
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione
CID 59189535
5-(azidomethyl)-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 134837835
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(1R)-2-methyl-1-(2-nitrophenyl)propoxy]methyl]pyrimidine-2,4-dione
CID 59189532
1-[(2R,4S,5R)-5-[bis[di(propan-2-yl)amino]phosphanyloxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101468293
[(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
CID 101264549
CID 101264549
3-[(2R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoic acid
CID 57251904
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]pyrimidine-2,4-dione
CID 102194009
1-[(2R,5R)-5-[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67654342
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
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(phenylmethoxyamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15476584

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione (CID 163924720) is 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione is C=CCOCc1cn([C@H]2CC(O[Si](C)(C)C(C)(C)C)[C@@H](COC(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione?
The InChIKey is RDLJPPCEELZNMG-OMKBGSMGSA-N. The full InChI is InChI=1S/C22H38N2O6Si/c1-9-10-27-13-16-12-24(21(26)23-20(16)25)19-11-17(18(29-19)14-28-15(2)3)30-31(7,8)22(4,5)6/h9,12,15,17-19H,1,10-11,13-14H2,2-8H3,(H,23,25,26)/t17?,18-,19-/m1/s1.
What are the key properties of 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione?
1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione has a molecular weight of 454.64 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-(prop-2-enoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 163924720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).