(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

C26H43N5O3S2Si — CID 171624062

About (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

(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 (PubChem CID 171624062) has the molecular formula C26H43N5O3S2Si and a molecular weight of 565.88 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 171624062
• Molecular Formula: C26H43N5O3S2Si
• Molecular Weight: 565.88 g/mol
• Exact Mass: 565.26
• IUPAC Name: (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
• SMILES: C=C(C)C[C@H](O)[C@](C)(CO[Si](C)(C)C(C)(C)C)c1cnc(SC)nc1Nc1cccc(N=S(C)(C)=O)n1
• InChI: InChI=1S/C26H43N5O3S2Si/c1-18(2)15-20(32)26(6,17-34-37(10,11)25(3,4)5)19-16-27-24(35-7)30-23(19)29-21-13-12-14-22(28-21)31-36(8,9)33/h12-14,16,20,32H,1,15,17H2,2-11H3,(H,27,28,29,30)/t20-,26+/m0/s1
• InChIKey: UGZZUQPSWOMQBS-RXFWQSSRSA-N
• XLogP: 6.30
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.88
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is C=C(C)C[C@H](O)[C@](C)(CO[Si](C)(C)C(C)(C)C)c1cnc(SC)nc1Nc1cccc(N=S(C)(C)=O)n1.

What is the InChIKey of (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?

The InChIKey is UGZZUQPSWOMQBS-RXFWQSSRSA-N. The full InChI is InChI=1S/C26H43N5O3S2Si/c1-18(2)15-20(32)26(6,17-34-37(10,11)25(3,4)5)19-16-27-24(35-7)30-23(19)29-21-13-12-14-22(28-21)31-36(8,9)33/h12-14,16,20,32H,1,15,17H2,2-11H3,(H,27,28,29,30)/t20-,26+/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 565.88 g/mol, XLogP of 6.30, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 171624062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).