(4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

C28H43N5O4SSi — CID 171624259

IUPAC(4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=C(C)C[C@H](O)[C@](C)(CO[Si](C)(C)C(C)(C)C)c1cnc(SC)nc1Nc1cccc(N2C(=O)OC[C@@H]2C)n1
InChIInChI=1S/C28H43N5O4SSi/c1-18(2)14-21(34)28(7,17-37-39(9,10)27(4,5)6)20-15-29-25(38-8)32-24(20)31-22-12-11-13-23(30-22)33-19(3)16-36-26(33)35/h11-13,15,19,21,34H,1,14,16-17H2,2-10H3,(H,29,30,31,32)/t19-,21-,28+/m0/s1
InChIKeyUGQOATYDUHHDCB-BDHWGLMFSA-N
MW573.84 g/mol
LogP6.29
Rot. Bonds11

About (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 171624259) has the molecular formula C28H43N5O4SSi and a molecular weight of 573.84 g/mol. Its IUPAC name is (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID171624259
Molecular FormulaC28H43N5O4SSi
Molecular Weight573.84 g/mol
Exact Mass573.28
IUPAC Name(4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=C(C)C[C@H](O)[C@](C)(CO[Si](C)(C)C(C)(C)C)c1cnc(SC)nc1Nc1cccc(N2C(=O)OC[C@@H]2C)n1
InChIInChI=1S/C28H43N5O4SSi/c1-18(2)14-21(34)28(7,17-37-39(9,10)27(4,5)6)20-15-29-25(38-8)32-24(20)31-22-12-11-13-23(30-22)33-19(3)16-36-26(33)35/h11-13,15,19,21,34H,1,14,16-17H2,2-10H3,(H,29,30,31,32)/t19-,21-,28+/m0/s1
InChIKeyUGQOATYDUHHDCB-BDHWGLMFSA-N
XLogP6.29
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.84
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-2-methylsulfanylpyrimidin-5-yl]-2,5-dimethylhex-5-en-3-ol
CID 171624062
(4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-methylsulfanyl-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 171624392
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)-2,5-dimethylhex-5-en-3-ol
CID 176916288
4-methyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099068
methyl N-[[6-[(1R,9R)-1,11,11-trimethyl-5-methylsulfanyl-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]methyl]carbamate
CID 178182258
8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 174023673
(4S)-3-[6-[(4S)-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 171624782
(4S)-3-[6-[6-(azetidin-1-yl)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 146572082
(4S)-4-methyl-3-[6-[methyl-[(4S,5S)-2,2,5-trimethyl-5-[2-[[6-[(2R)-4-(methylamino)butan-2-yl]oxy-3-pyridinyl]amino]pyrimidin-5-yl]oxan-4-yl]amino]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 171624199
N'-[(Z)-2-[amino-[[(2R)-4-ethoxy-4-methylpentan-2-yl]-[6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]amino]methyl]but-1-enyl]-N-phenylmethanimidamide
CID 171624569
tert-butyl N-[[6-[cyclopentyl(methyl)amino]-2-[6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495092
3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 110099031

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (CID 171624259) is (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is C=C(C)C[C@H](O)[C@](C)(CO[Si](C)(C)C(C)(C)C)c1cnc(SC)nc1Nc1cccc(N2C(=O)OC[C@@H]2C)n1.
What is the InChIKey of (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is UGQOATYDUHHDCB-BDHWGLMFSA-N. The full InChI is InChI=1S/C28H43N5O4SSi/c1-18(2)14-21(34)28(7,17-37-39(9,10)27(4,5)6)20-15-29-25(38-8)32-24(20)31-22-12-11-13-23(30-22)33-19(3)16-36-26(33)35/h11-13,15,19,21,34H,1,14,16-17H2,2-10H3,(H,29,30,31,32)/t19-,21-,28+/m0/s1.
What are the key properties of (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 573.84 g/mol, XLogP of 6.29, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[[5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-5-en-2-yl]-2-methylsulfanylpyrimidin-4-yl]amino]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 171624259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).