4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one

C14H26F2N4O4Si2 — CID 140966159

IUPAC4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESC[Si](C)(C)C(O)[C@H]1O[C@@H](n2cnc(N)nc2=O)C(F)(F)[C@@]1(O)[Si](C)(C)C
InChIInChI=1S/C14H26F2N4O4Si2/c1-25(2,3)9(21)8-14(23,26(4,5)6)13(15,16)10(24-8)20-7-18-11(17)19-12(20)22/h7-10,21,23H,1-6H3,(H2,17,19,22)/t8-,9?,10-,14+/m1/s1
InChIKeyYILNROOJILNAPQ-VTWNZUCVSA-N
MW408.55 g/mol
LogP0.60
Rot. Bonds4

About 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one

4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one (PubChem CID 140966159) has the molecular formula C14H26F2N4O4Si2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
PubChem CID140966159
Molecular FormulaC14H26F2N4O4Si2
Molecular Weight408.55 g/mol
Exact Mass408.15
IUPAC Name4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESC[Si](C)(C)C(O)[C@H]1O[C@@H](n2cnc(N)nc2=O)C(F)(F)[C@@]1(O)[Si](C)(C)C
InChIInChI=1S/C14H26F2N4O4Si2/c1-25(2,3)9(21)8-14(23,26(4,5)6)13(15,16)10(24-8)20-7-18-11(17)19-12(20)22/h7-10,21,23H,1-6H3,(H2,17,19,22)/t8-,9?,10-,14+/m1/s1
InChIKeyYILNROOJILNAPQ-VTWNZUCVSA-N
XLogP0.60
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one (CID 140966159) is 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one is C[Si](C)(C)C(O)[C@H]1O[C@@H](n2cnc(N)nc2=O)C(F)(F)[C@@]1(O)[Si](C)(C)C.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
The InChIKey is YILNROOJILNAPQ-VTWNZUCVSA-N. The full InChI is InChI=1S/C14H26F2N4O4Si2/c1-25(2,3)9(21)8-14(23,26(4,5)6)13(15,16)10(24-8)20-7-18-11(17)19-12(20)22/h7-10,21,23H,1-6H3,(H2,17,19,22)/t8-,9?,10-,14+/m1/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one has a molecular weight of 408.55 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-1,3,5-triazin-2-one is sourced from PubChem (CID 140966159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).