4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one

C25H31N3O2SSi — CID 70284737

IUPAC4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CCC(n2ccc(N)nc2=O)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3O2SSi/c1-25(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-19-14-15-23(31-19)28-17-16-22(26)27-24(28)29/h4-13,16-17,19,23H,14-15,18H2,1-3H3,(H2,26,27,29)/t19-,23?/m1/s1
InChIKeyGPFLQIKEYCBHMN-HWYAHNCWSA-N
MW465.70 g/mol
LogP3.80
Rot. Bonds6

About 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one

4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one (PubChem CID 70284737) has the molecular formula C25H31N3O2SSi and a molecular weight of 465.70 g/mol. Its IUPAC name is 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one
PubChem CID70284737
Molecular FormulaC25H31N3O2SSi
Molecular Weight465.70 g/mol
Exact Mass465.19
IUPAC Name4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CCC(n2ccc(N)nc2=O)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3O2SSi/c1-25(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-19-14-15-23(31-19)28-17-16-22(26)27-24(28)29/h4-13,16-17,19,23H,14-15,18H2,1-3H3,(H2,26,27,29)/t19-,23?/m1/s1
InChIKeyGPFLQIKEYCBHMN-HWYAHNCWSA-N
XLogP3.80
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.70
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 150696636
4-amino-1-[(2R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxyamino]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 10580719
butyl 2-[[(5R)-5-(4-amino-2-oxopyrimidin-1-yl)thiolan-2-yl]methoxy-(2-butoxy-2-oxoethoxy)phosphoryl]oxyacetate
CID 174084633
4-amino-1-[(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one
CID 10254825
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
4-amino-1-[(2R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-diethoxyphosphoryl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 10722307
1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175861631
[(2R,3R,4R,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(azidomethyl)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate
CID 11628430
4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3,3-difluorooxolan-2-yl]pyrimidin-2-one
CID 175677908
4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one
CID 175677925
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 144905759

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one (CID 70284737) is 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one is CC(C)(C)[Si](OC[C@H]1CCC(n2ccc(N)nc2=O)S1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one?
The InChIKey is GPFLQIKEYCBHMN-HWYAHNCWSA-N. The full InChI is InChI=1S/C25H31N3O2SSi/c1-25(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-19-14-15-23(31-19)28-17-16-22(26)27-24(28)29/h4-13,16-17,19,23H,14-15,18H2,1-3H3,(H2,26,27,29)/t19-,23?/m1/s1.
What are the key properties of 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one?
4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one has a molecular weight of 465.70 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 70284737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).