5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione

C23H27N3O4Si — CID 70113495

IUPAC5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nc2c(o1)C=Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1C2c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C23H27N3O4Si/c1-13-25-20-18(29-13)10-7-14-11-15(30-31(5,6)23(2,3)4)8-9-16(14)19(20)17-12-24-22(28)26-21(17)27/h7-12,19H,1-6H3,(H2,24,26,27,28)
InChIKeyKLENFSXNUDCNIR-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.41
Rot. Bonds3

About 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione

5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 70113495) has the molecular formula C23H27N3O4Si and a molecular weight of 437.57 g/mol. Its IUPAC name is 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID70113495
Molecular FormulaC23H27N3O4Si
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nc2c(o1)C=Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1C2c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C23H27N3O4Si/c1-13-25-20-18(29-13)10-7-14-11-15(30-31(5,6)23(2,3)4)8-9-16(14)19(20)17-12-24-22(28)26-21(17)27/h7-12,19H,1-6H3,(H2,24,26,27,28)
InChIKeyKLENFSXNUDCNIR-UHFFFAOYSA-N
XLogP4.41
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione (CID 70113495) is 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione is Cc1nc2c(o1)C=Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1C2c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is KLENFSXNUDCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4Si/c1-13-25-20-18(29-13)10-7-14-11-15(30-31(5,6)23(2,3)4)8-9-16(14)19(20)17-12-24-22(28)26-21(17)27/h7-12,19H,1-6H3,(H2,24,26,27,28).
What are the key properties of 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione?
5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 437.57 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[12-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70113495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).