5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine

C15H22N2O — CID 170179115

IUPAC5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine
SMILESCC(C)(C)c1cnc(OC2CC3(CCC3)C2)nc1
InChIInChI=1S/C15H22N2O/c1-14(2,3)11-9-16-13(17-10-11)18-12-7-15(8-12)5-4-6-15/h9-10,12H,4-8H2,1-3H3
InChIKeyBSNYTCXFPUVNGM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.49
Rot. Bonds2

About 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine

5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine (PubChem CID 170179115) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine
PubChem CID170179115
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine
SMILESCC(C)(C)c1cnc(OC2CC3(CCC3)C2)nc1
InChIInChI=1S/C15H22N2O/c1-14(2,3)11-9-16-13(17-10-11)18-12-7-15(8-12)5-4-6-15/h9-10,12H,4-8H2,1-3H3
InChIKeyBSNYTCXFPUVNGM-UHFFFAOYSA-N
XLogP3.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine?
The IUPAC name of 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine (CID 170179115) is 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine.
What is the SMILES notation for 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine?
The canonical SMILES for 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine is CC(C)(C)c1cnc(OC2CC3(CCC3)C2)nc1.
What is the InChIKey of 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine?
The InChIKey is BSNYTCXFPUVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-14(2,3)11-9-16-13(17-10-11)18-12-7-15(8-12)5-4-6-15/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine?
5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine has a molecular weight of 246.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-spiro[3.3]heptan-2-yloxypyrimidine is sourced from PubChem (CID 170179115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).