4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C15H27N3O5Si — CID 154293662

IUPAC4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCCCC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@]1(n1ccc(N)nc1=O)[SiH](C)C
InChIInChI=1S/C15H27N3O5Si/c1-4-5-7-14(22)12(20)10(9-19)23-15(14,24(2)3)18-8-6-11(16)17-13(18)21/h6,8,10,12,19-20,22,24H,4-5,7,9H2,1-3H3,(H2,16,17,21)/t10-,12-,14-,15+/m1/s1
InChIKeyYJFZEXHQPLSXQM-LTZCYQRMSA-N
MW357.48 g/mol
LogP-0.82
Rot. Bonds6

About 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 154293662) has the molecular formula C15H27N3O5Si and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID154293662
Molecular FormulaC15H27N3O5Si
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCCCC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@]1(n1ccc(N)nc1=O)[SiH](C)C
InChIInChI=1S/C15H27N3O5Si/c1-4-5-7-14(22)12(20)10(9-19)23-15(14,24(2)3)18-8-6-11(16)17-13(18)21/h6,8,10,12,19-20,22,24H,4-5,7,9H2,1-3H3,(H2,16,17,21)/t10-,12-,14-,15+/m1/s1
InChIKeyYJFZEXHQPLSXQM-LTZCYQRMSA-N
XLogP-0.82
TPSA130.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dimethyloxolan-2-yl]pyrimidin-2-one
CID 66824648
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CID 173140089
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CID 174057845
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]pyrimidin-2-one
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CID 150136971
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CID 54511500

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 154293662) is 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is CCCC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@]1(n1ccc(N)nc1=O)[SiH](C)C.
What is the InChIKey of 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is YJFZEXHQPLSXQM-LTZCYQRMSA-N. The full InChI is InChI=1S/C15H27N3O5Si/c1-4-5-7-14(22)12(20)10(9-19)23-15(14,24(2)3)18-8-6-11(16)17-13(18)21/h6,8,10,12,19-20,22,24H,4-5,7,9H2,1-3H3,(H2,16,17,21)/t10-,12-,14-,15+/m1/s1.
What are the key properties of 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 357.48 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 154293662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).