4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione

C35H60N6O9Si2 — CID 157468149

IUPAC4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione
SMILESCC[C@H]1O[C@@H](n2cc(CO)c(N)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.CC[C@H]1O[C@@H](n2cc3c(nc2=O)NC(=O)OC3)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29N3O5Si.C17H31N3O4Si/c1-7-12-13(26-27(5,6)18(2,3)4)8-14(25-12)21-9-11-10-24-17(23)20-15(11)19-16(21)22;1-7-12-13(24-25(5,6)17(2,3)4)8-14(23-12)20-9-11(10-21)15(18)19-16(20)22/h9,12-14H,7-8,10H2,1-6H3,(H,19,20,22,23);9,12-14,21H,7-8,10H2,1-6H3,(H2,18,19,22)/t2*12-,13-,14-/m11/s1
InChIKeyBUSGWMMNHXROIP-HPXCMURUSA-N
MW765.07 g/mol
LogP5.80
Rot. Bonds9

About 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione

4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione (PubChem CID 157468149) has the molecular formula C35H60N6O9Si2 and a molecular weight of 765.07 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione
PubChem CID157468149
Molecular FormulaC35H60N6O9Si2
Molecular Weight765.07 g/mol
Exact Mass764.40
IUPAC Name4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione
SMILESCC[C@H]1O[C@@H](n2cc(CO)c(N)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.CC[C@H]1O[C@@H](n2cc3c(nc2=O)NC(=O)OC3)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29N3O5Si.C17H31N3O4Si/c1-7-12-13(26-27(5,6)18(2,3)4)8-14(25-12)21-9-11-10-24-17(23)20-15(11)19-16(21)22;1-7-12-13(24-25(5,6)17(2,3)4)8-14(23-12)20-9-11(10-21)15(18)19-16(20)22/h9,12-14H,7-8,10H2,1-6H3,(H,19,20,22,23);9,12-14,21H,7-8,10H2,1-6H3,(H2,18,19,22)/t2*12-,13-,14-/m11/s1
InChIKeyBUSGWMMNHXROIP-HPXCMURUSA-N
XLogP5.80
TPSA191.28 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.07
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione with MolForge

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Related Compounds

4-amino-5-bromo-1-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 101170673
4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1S)-2,2-dimethyl-1-(2-nitrophenyl)propoxy]methyl]pyrimidin-2-one
CID 157455234
methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
CID 170907869
4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one
CID 86343491
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[(2-tert-butylphenyl)methoxymethyl]pyrimidine-2,4-dione
CID 59189535
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 174085318
5-(azidomethyl)-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 134837835
4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione
CID 158135732
tert-butyl-[(2R,5R)-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-ethyloxolan-3-yl]oxy-dimethylsilane
CID 89402696
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CID 57123438
4-amino-1-[(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidin-2-one
CID 176808452
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione (CID 157468149) is 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione is CC[C@H]1O[C@@H](n2cc(CO)c(N)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.CC[C@H]1O[C@@H](n2cc3c(nc2=O)NC(=O)OC3)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione?
The InChIKey is BUSGWMMNHXROIP-HPXCMURUSA-N. The full InChI is InChI=1S/C18H29N3O5Si.C17H31N3O4Si/c1-7-12-13(26-27(5,6)18(2,3)4)8-14(25-12)21-9-11-10-24-17(23)20-15(11)19-16(21)22;1-7-12-13(24-25(5,6)17(2,3)4)8-14(23-12)20-9-11(10-21)15(18)19-16(20)22/h9,12-14H,7-8,10H2,1-6H3,(H,19,20,22,23);9,12-14,21H,7-8,10H2,1-6H3,(H2,18,19,22)/t2*12-,13-,14-/m11/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione?
4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione has a molecular weight of 765.07 g/mol, XLogP of 5.80, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one;6-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-1,4-dihydropyrimido[4,5-d][1,3]oxazine-2,7-dione is sourced from PubChem (CID 157468149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).