4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one

C15H27N3O4Si — CID 102225749

IUPAC4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC[C@](C)(n2ccc(N)nc2=O)O1
InChIInChI=1S/C15H27N3O4Si/c1-14(2,3)23(5,6)21-9-12-20-10-15(4,22-12)18-8-7-11(16)17-13(18)19/h7-8,12H,9-10H2,1-6H3,(H2,16,17,19)/t12-,15+/m0/s1
InChIKeySYIQHIOYZBLSTN-SWLSCSKDSA-N
MW341.48 g/mol
LogP1.89
Rot. Bonds4

About 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one

4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one (PubChem CID 102225749) has the molecular formula C15H27N3O4Si and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
PubChem CID102225749
Molecular FormulaC15H27N3O4Si
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC[C@](C)(n2ccc(N)nc2=O)O1
InChIInChI=1S/C15H27N3O4Si/c1-14(2,3)23(5,6)21-9-12-20-10-15(4,22-12)18-8-7-11(16)17-13(18)19/h7-8,12H,9-10H2,1-6H3,(H2,16,17,19)/t12-,15+/m0/s1
InChIKeySYIQHIOYZBLSTN-SWLSCSKDSA-N
XLogP1.89
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
CID 102225742
4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one
CID 175111472
4-amino-1-[(2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 11256415
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-5-methyl-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 118718719
4-amino-1-[(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one
CID 10254825
4-amino-1-[(1R,3R,4R,5R)-4-hydroxy-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]pyrimidin-2-one
CID 10934069
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]pyrimidin-2-one
CID 154134137
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dimethyloxolan-2-yl]pyrimidin-2-one
CID 66824648
ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 66831590
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid
CID 59795978
4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 169068298
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] 2-bromopropanoate
CID 88580032

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one (CID 102225749) is 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC[C@](C)(n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The InChIKey is SYIQHIOYZBLSTN-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H27N3O4Si/c1-14(2,3)23(5,6)21-9-12-20-10-15(4,22-12)18-8-7-11(16)17-13(18)19/h7-8,12H,9-10H2,1-6H3,(H2,16,17,19)/t12-,15+/m0/s1.
What are the key properties of 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one has a molecular weight of 341.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one is sourced from PubChem (CID 102225749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).