4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one

C17H30N4O4Si — CID 150129352

IUPAC4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[Si](CC)(OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@@H]1O)C1CCCC1
InChIInChI=1S/C17H30N4O4Si/c1-3-26(4-2,12-7-5-6-8-12)24-10-14-13(22)9-15(25-14)21-11-19-16(18)20-17(21)23/h11-15,22H,3-10H2,1-2H3,(H2,18,20,23)/t13-,14+,15+/m0/s1
InChIKeyFAXGESOKOCFVNA-RRFJBIMHSA-N
MW382.54 g/mol
LogP1.82
Rot. Bonds7

About 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one

4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one (PubChem CID 150129352) has the molecular formula C17H30N4O4Si and a molecular weight of 382.54 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one
PubChem CID150129352
Molecular FormulaC17H30N4O4Si
Molecular Weight382.54 g/mol
Exact Mass382.20
IUPAC Name4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[Si](CC)(OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@@H]1O)C1CCCC1
InChIInChI=1S/C17H30N4O4Si/c1-3-26(4-2,12-7-5-6-8-12)24-10-14-13(22)9-15(25-14)21-11-19-16(18)20-17(21)23/h11-15,22H,3-10H2,1-2H3,(H2,18,20,23)/t13-,14+,15+/m0/s1
InChIKeyFAXGESOKOCFVNA-RRFJBIMHSA-N
XLogP1.82
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 51.82
H-Bond Donors ≤ 52
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
4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59475669
[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate
CID 71167907
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;butanedioic acid
CID 53241413
[6-[[5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]oxan-2-yl]methyl hexanoate
CID 158916627
[(2R,3R,5R)-3-acetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate
CID 91343339
[(2R,3S)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 90969634
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hypobromite
CID 57150003
2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 137254435
[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2S)-2-amino-3-(1H-indol-2-yl)propanoate
CID 71661119
[5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 75228927
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(methylperoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 18644771

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one (CID 150129352) is 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one is CC[Si](CC)(OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@@H]1O)C1CCCC1.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one?
The InChIKey is FAXGESOKOCFVNA-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H30N4O4Si/c1-3-26(4-2,12-7-5-6-8-12)24-10-14-13(22)9-15(25-14)21-11-19-16(18)20-17(21)23/h11-15,22H,3-10H2,1-2H3,(H2,18,20,23)/t13-,14+,15+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one?
4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one has a molecular weight of 382.54 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-5-[[cyclopentyl(diethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1,3,5-triazin-2-one is sourced from PubChem (CID 150129352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).