2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine

C17H14N2O3 — CID 142978717

IUPAC2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
SMILESc1cnc(Oc2ccc3cc(OCC4CO4)ccc3c2)nc1
InChIInChI=1S/C17H14N2O3/c1-6-18-17(19-7-1)22-15-5-3-12-8-14(4-2-13(12)9-15)20-10-16-11-21-16/h1-9,16H,10-11H2
InChIKeyCLNLLGVFOXYSAJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.20
Rot. Bonds5

About 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine

2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine (PubChem CID 142978717) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
PubChem CID142978717
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
SMILESc1cnc(Oc2ccc3cc(OCC4CO4)ccc3c2)nc1
InChIInChI=1S/C17H14N2O3/c1-6-18-17(19-7-1)22-15-5-3-12-8-14(4-2-13(12)9-15)20-10-16-11-21-16/h1-9,16H,10-11H2
InChIKeyCLNLLGVFOXYSAJ-UHFFFAOYSA-N
XLogP3.20
TPSA56.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine?
The IUPAC name of 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine (CID 142978717) is 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine.
What is the SMILES notation for 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine?
The canonical SMILES for 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine is c1cnc(Oc2ccc3cc(OCC4CO4)ccc3c2)nc1.
What is the InChIKey of 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine?
The InChIKey is CLNLLGVFOXYSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-6-18-17(19-7-1)22-15-5-3-12-8-14(4-2-13(12)9-15)20-10-16-11-21-16/h1-9,16H,10-11H2.
What are the key properties of 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine?
2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine has a molecular weight of 294.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine is sourced from PubChem (CID 142978717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).