4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one

C34H42N4O3Si — CID 175111472

IUPAC4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one
SMILESCC1(n2ccc(N)nc2=O)CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C34H42N4O3Si/c1-32(2,3)42(5,6)41-30-24-37(25-33(4,40-30)38-23-22-29(35)36-31(38)39)34(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23,30H,24-25H2,1-6H3,(H2,35,36,39)
InChIKeyPCCIVYGTVXXSKP-UHFFFAOYSA-N
MW582.82 g/mol
LogP6.17
Rot. Bonds7

About 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one

4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one (PubChem CID 175111472) has the molecular formula C34H42N4O3Si and a molecular weight of 582.82 g/mol. Its IUPAC name is 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one
PubChem CID175111472
Molecular FormulaC34H42N4O3Si
Molecular Weight582.82 g/mol
Exact Mass582.30
IUPAC Name4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one
SMILESCC1(n2ccc(N)nc2=O)CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C34H42N4O3Si/c1-32(2,3)42(5,6)41-30-24-37(25-33(4,40-30)38-23-22-29(35)36-31(38)39)34(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23,30H,24-25H2,1-6H3,(H2,35,36,39)
InChIKeyPCCIVYGTVXXSKP-UHFFFAOYSA-N
XLogP6.17
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.82
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one (CID 175111472) is 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one is CC1(n2ccc(N)nc2=O)CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one?
The InChIKey is PCCIVYGTVXXSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O3Si/c1-32(2,3)42(5,6)41-30-24-37(25-33(4,40-30)38-23-22-29(35)36-31(38)39)34(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23,30H,24-25H2,1-6H3,(H2,35,36,39).
What are the key properties of 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one?
4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one has a molecular weight of 582.82 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-tritylmorpholin-2-yl]pyrimidin-2-one is sourced from PubChem (CID 175111472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).