6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C17H27BrN2O3SSi — CID 131737210

IUPAC6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(Br)sc2c1c(=O)n(CCCO[Si](C)(C)C(C)(C)C)c(=O)n2C
InChIInChI=1S/C17H27BrN2O3SSi/c1-11-12-14(21)20(16(22)19(5)15(12)24-13(11)18)9-8-10-23-25(6,7)17(2,3)4/h8-10H2,1-7H3
InChIKeyZDZCXNQDEHJHGM-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.24
Rot. Bonds5

About 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 131737210) has the molecular formula C17H27BrN2O3SSi and a molecular weight of 447.47 g/mol. Its IUPAC name is 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID131737210
Molecular FormulaC17H27BrN2O3SSi
Molecular Weight447.47 g/mol
Exact Mass446.07
IUPAC Name6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(Br)sc2c1c(=O)n(CCCO[Si](C)(C)C(C)(C)C)c(=O)n2C
InChIInChI=1S/C17H27BrN2O3SSi/c1-11-12-14(21)20(16(22)19(5)15(12)24-13(11)18)9-8-10-23-25(6,7)17(2,3)4/h8-10H2,1-7H3
InChIKeyZDZCXNQDEHJHGM-UHFFFAOYSA-N
XLogP4.24
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 131737210) is 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is Cc1c(Br)sc2c1c(=O)n(CCCO[Si](C)(C)C(C)(C)C)c(=O)n2C.
What is the InChIKey of 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZDZCXNQDEHJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O3SSi/c1-11-12-14(21)20(16(22)19(5)15(12)24-13(11)18)9-8-10-23-25(6,7)17(2,3)4/h8-10H2,1-7H3.
What are the key properties of 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 447.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 131737210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).