5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione

C17H28N2O6 — CID 91284540

IUPAC5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCC1OC(n2cc(C(C)(C)C)c(=O)[nH]c2=O)C(OCCOC)C1O
InChIInChI=1S/C17H28N2O6/c1-6-11-12(20)13(24-8-7-23-5)15(25-11)19-9-10(17(2,3)4)14(21)18-16(19)22/h9,11-13,15,20H,6-8H2,1-5H3,(H,18,21,22)
InChIKeySULSVAQCDHCKHF-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.53
Rot. Bonds6

About 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione

5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 91284540) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID91284540
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCCC1OC(n2cc(C(C)(C)C)c(=O)[nH]c2=O)C(OCCOC)C1O
InChIInChI=1S/C17H28N2O6/c1-6-11-12(20)13(24-8-7-23-5)15(25-11)19-9-10(17(2,3)4)14(21)18-16(19)22/h9,11-13,15,20H,6-8H2,1-5H3,(H,18,21,22)
InChIKeySULSVAQCDHCKHF-UHFFFAOYSA-N
XLogP0.53
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione (CID 91284540) is 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione is CCC1OC(n2cc(C(C)(C)C)c(=O)[nH]c2=O)C(OCCOC)C1O.
What is the InChIKey of 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is SULSVAQCDHCKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-6-11-12(20)13(24-8-7-23-5)15(25-11)19-9-10(17(2,3)4)14(21)18-16(19)22/h9,11-13,15,20H,6-8H2,1-5H3,(H,18,21,22).
What are the key properties of 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione?
5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 356.42 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 91284540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).