5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione

C29H38FN3O5Si — CID 150302943

IUPAC5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN(O)[C@H]1[C@H](F)[C@H](c2c[nH]c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H38FN3O5Si/c1-19(2)17-33(36)25-23(38-26(24(25)30)22-16-31-28(35)32-27(22)34)18-37-39(29(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,19,23-26,36H,17-18H2,1-5H3,(H2,31,32,34,35)/t23-,24+,25-,26+/m1/s1
InChIKeyGJZNVXMDTLCRCS-ZJSPYRCASA-N
MW555.72 g/mol
LogP3.13
Rot. Bonds9

About 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione

5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 150302943) has the molecular formula C29H38FN3O5Si and a molecular weight of 555.72 g/mol. Its IUPAC name is 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID150302943
Molecular FormulaC29H38FN3O5Si
Molecular Weight555.72 g/mol
Exact Mass555.26
IUPAC Name5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN(O)[C@H]1[C@H](F)[C@H](c2c[nH]c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H38FN3O5Si/c1-19(2)17-33(36)25-23(38-26(24(25)30)22-16-31-28(35)32-27(22)34)18-37-39(29(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,19,23-26,36H,17-18H2,1-5H3,(H2,31,32,34,35)/t23-,24+,25-,26+/m1/s1
InChIKeyGJZNVXMDTLCRCS-ZJSPYRCASA-N
XLogP3.13
TPSA107.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.72
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-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

5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 58288011
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
CID 140966523
1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10817125
1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 68699521
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-hydroxyoxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione
CID 22839277
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 11114591
1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone
CID 89262198

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 150302943) is 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione is CC(C)CN(O)[C@H]1[C@H](F)[C@H](c2c[nH]c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GJZNVXMDTLCRCS-ZJSPYRCASA-N. The full InChI is InChI=1S/C29H38FN3O5Si/c1-19(2)17-33(36)25-23(38-26(24(25)30)22-16-31-28(35)32-27(22)34)18-37-39(29(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,19,23-26,36H,17-18H2,1-5H3,(H2,31,32,34,35)/t23-,24+,25-,26+/m1/s1.
What are the key properties of 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione?
5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 555.72 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150302943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).