5-(2-tert-butyloxiran-2-yl)pyrimidine

C10H14N2O — CID 58149524

IUPAC5-(2-tert-butyloxiran-2-yl)pyrimidine
SMILESCC(C)(C)C1(c2cncnc2)CO1
InChIInChI=1S/C10H14N2O/c1-9(2,3)10(6-13-10)8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3
InChIKeyVRLWOMXGXGMBPI-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.75
Rot. Bonds1

About 5-(2-tert-butyloxiran-2-yl)pyrimidine

5-(2-tert-butyloxiran-2-yl)pyrimidine (PubChem CID 58149524) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(2-tert-butyloxiran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-tert-butyloxiran-2-yl)pyrimidine
PubChem CID58149524
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-(2-tert-butyloxiran-2-yl)pyrimidine
SMILESCC(C)(C)C1(c2cncnc2)CO1
InChIInChI=1S/C10H14N2O/c1-9(2,3)10(6-13-10)8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3
InChIKeyVRLWOMXGXGMBPI-UHFFFAOYSA-N
XLogP1.75
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(2-tert-butyloxiran-2-yl)pyrimidine?
The IUPAC name of 5-(2-tert-butyloxiran-2-yl)pyrimidine (CID 58149524) is 5-(2-tert-butyloxiran-2-yl)pyrimidine.
What is the SMILES notation for 5-(2-tert-butyloxiran-2-yl)pyrimidine?
The canonical SMILES for 5-(2-tert-butyloxiran-2-yl)pyrimidine is CC(C)(C)C1(c2cncnc2)CO1.
What is the InChIKey of 5-(2-tert-butyloxiran-2-yl)pyrimidine?
The InChIKey is VRLWOMXGXGMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-9(2,3)10(6-13-10)8-4-11-7-12-5-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-(2-tert-butyloxiran-2-yl)pyrimidine?
5-(2-tert-butyloxiran-2-yl)pyrimidine has a molecular weight of 178.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyloxiran-2-yl)pyrimidine is sourced from PubChem (CID 58149524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).