4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one

C14H26N4O4Si — CID 175725659

IUPAC4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[Si](CC)(CC)[C@]1(n2cnc(N)nc2=O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C14H26N4O4Si/c1-4-23(5-2,6-3)14(7-10(20)11(8-19)22-14)18-9-16-12(15)17-13(18)21/h9-11,19-20H,4-8H2,1-3H3,(H2,15,17,21)/t10-,11+,14-/m0/s1
InChIKeyXMCVDQSUZQMWJQ-WDMOLILDSA-N
MW342.47 g/mol
LogP0.06
Rot. Bonds6

About 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one

4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one (PubChem CID 175725659) has the molecular formula C14H26N4O4Si and a molecular weight of 342.47 g/mol. Its IUPAC name is 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
PubChem CID175725659
Molecular FormulaC14H26N4O4Si
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[Si](CC)(CC)[C@]1(n2cnc(N)nc2=O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C14H26N4O4Si/c1-4-23(5-2,6-3)14(7-10(20)11(8-19)22-14)18-9-16-12(15)17-13(18)21/h9-11,19-20H,4-8H2,1-3H3,(H2,15,17,21)/t10-,11+,14-/m0/s1
InChIKeyXMCVDQSUZQMWJQ-WDMOLILDSA-N
XLogP0.06
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
2-(4-nitrophenyl)ethyl (2S,4S,5R)-2-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
CID 69299582
4-amino-1-[(2S,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 123436693
(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol
CID 67780261
4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 158812612
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 1805
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 67397647
4-(15N)azanyl-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-(1,3,5-15N3)1,3,5-triazin-2-one
CID 57369194
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;hydrochloride
CID 174941863
4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 67853956
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;molecular nitrogen
CID 141254642
4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one
CID 123521355

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one (CID 175725659) is 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one is CC[Si](CC)(CC)[C@]1(n2cnc(N)nc2=O)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
The InChIKey is XMCVDQSUZQMWJQ-WDMOLILDSA-N. The full InChI is InChI=1S/C14H26N4O4Si/c1-4-23(5-2,6-3)14(7-10(20)11(8-19)22-14)18-9-16-12(15)17-13(18)21/h9-11,19-20H,4-8H2,1-3H3,(H2,15,17,21)/t10-,11+,14-/m0/s1.
What are the key properties of 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one?
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one has a molecular weight of 342.47 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one is sourced from PubChem (CID 175725659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).