1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione

C19H31FN2O5Si — CID 140866833

IUPAC1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=CCO[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F
InChIInChI=1S/C19H31FN2O5Si/c1-8-11-25-15-13(12-26-28(6,7)18(2,3)4)27-16(19(15,5)20)22-10-9-14(23)21-17(22)24/h8-10,13,15-16H,1,11-12H2,2-7H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
InChIKeyMQLTZEQZYMOGAJ-NVQRDWNXSA-N
MW414.55 g/mol
LogP2.76
Rot. Bonds7

About 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 140866833) has the molecular formula C19H31FN2O5Si and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID140866833
Molecular FormulaC19H31FN2O5Si
Molecular Weight414.55 g/mol
Exact Mass414.20
IUPAC Name1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=CCO[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F
InChIInChI=1S/C19H31FN2O5Si/c1-8-11-25-15-13(12-26-28(6,7)18(2,3)4)27-16(19(15,5)20)22-10-9-14(23)21-17(22)24/h8-10,13,15-16H,1,11-12H2,2-7H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
InChIKeyMQLTZEQZYMOGAJ-NVQRDWNXSA-N
XLogP2.76
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 122579815
1-[(2R,4R,5R)-3,3-dibromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 141489547
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
1-[(2R,3S,4R,5R)-3-fluoro-3-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67439872
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyl-3-prop-2-enoxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 140866834
(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyl-2-(2-oxoethyl)oxolane-3-carbaldehyde
CID 121314821
1-[(2R,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 11280520
1-[(2R,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 122573474
(2R,3S,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-3-carbonitrile
CID 102222535
[(3R,4R)-3-(2-chloroacetyl)oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methyl 2-chloroacetate
CID 145071286
[(3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 126657092
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 20744743

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 140866833) is 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione is C=CCO[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F.
What is the InChIKey of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MQLTZEQZYMOGAJ-NVQRDWNXSA-N. The full InChI is InChI=1S/C19H31FN2O5Si/c1-8-11-25-15-13(12-26-28(6,7)18(2,3)4)27-16(19(15,5)20)22-10-9-14(23)21-17(22)24/h8-10,13,15-16H,1,11-12H2,2-7H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 414.55 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 140866833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).