4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one

C16H28N4O5Si — CID 57065528

IUPAC4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CN=O
InChIInChI=1S/C16H28N4O5Si/c1-15(2,3)26(4,5)25-11-8-13(24-16(11,10-21)9-18-23)20-7-6-12(17)19-14(20)22/h6-7,11,13,21H,8-10H2,1-5H3,(H2,17,19,22)/t11?,13-,16-/m1/s1
InChIKeyZUMSNUKJAZXWKG-ZUZSALNQSA-N
MW384.51 g/mol
LogP1.63
Rot. Bonds6

About 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 57065528) has the molecular formula C16H28N4O5Si and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID57065528
Molecular FormulaC16H28N4O5Si
Molecular Weight384.51 g/mol
Exact Mass384.18
IUPAC Name4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CN=O
InChIInChI=1S/C16H28N4O5Si/c1-15(2,3)26(4,5)25-11-8-13(24-16(11,10-21)9-18-23)20-7-6-12(17)19-14(20)22/h6-7,11,13,21H,8-10H2,1-5H3,(H2,17,19,22)/t11?,13-,16-/m1/s1
InChIKeyZUMSNUKJAZXWKG-ZUZSALNQSA-N
XLogP1.63
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57148783
4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 178041211
4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
4-amino-1-[5-(chloromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 123858985
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-3-(3-hydroxy-2,2-dimethylpropanoyl)oxyoxolan-2-yl]methyl 3-hydroxy-2,2-dimethylpropanoate
CID 178041303
4-amino-1-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 58763546
[5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 123230973
4-amino-1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one
CID 67875655
4-amino-1-[3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22677597
4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 142192946
4-amino-1-[(2S,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 176809371
4-amino-1-[(1S,3R,8S)-8-hydroxy-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-3-yl]pyrimidin-2-one
CID 21345057

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one (CID 57065528) is 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one is CC(C)(C)[Si](C)(C)OC1C[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CN=O.
What is the InChIKey of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is ZUMSNUKJAZXWKG-ZUZSALNQSA-N. The full InChI is InChI=1S/C16H28N4O5Si/c1-15(2,3)26(4,5)25-11-8-13(24-16(11,10-21)9-18-23)20-7-6-12(17)19-14(20)22/h6-7,11,13,21H,8-10H2,1-5H3,(H2,17,19,22)/t11?,13-,16-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 384.51 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 57065528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).