4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine

C13H20N2O3 — CID 58044657

IUPAC4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine
SMILESCCOc1ccnc(OC2COCC2C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-4-17-12-5-6-14-13(15-12)18-11-8-16-7-10(11)9(2)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyWFQMJYJSABENGA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.93
Rot. Bonds5

About 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine

4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine (PubChem CID 58044657) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine
PubChem CID58044657
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine
SMILESCCOc1ccnc(OC2COCC2C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-4-17-12-5-6-14-13(15-12)18-11-8-16-7-10(11)9(2)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyWFQMJYJSABENGA-UHFFFAOYSA-N
XLogP1.93
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine?
The IUPAC name of 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine (CID 58044657) is 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine.
What is the SMILES notation for 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine?
The canonical SMILES for 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine is CCOc1ccnc(OC2COCC2C(C)C)n1.
What is the InChIKey of 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine?
The InChIKey is WFQMJYJSABENGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-17-12-5-6-14-13(15-12)18-11-8-16-7-10(11)9(2)3/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine?
4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine has a molecular weight of 252.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine is sourced from PubChem (CID 58044657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).