4-tert-butyl-2-propan-2-yloxypyrimidine

C11H18N2O — CID 169042531

IUPAC4-tert-butyl-2-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-12-7-6-9(13-10)11(3,4)5/h6-8H,1-5H3
InChIKeyHUJSCQDURPXHFK-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.56
Rot. Bonds2

About 4-tert-butyl-2-propan-2-yloxypyrimidine

4-tert-butyl-2-propan-2-yloxypyrimidine (PubChem CID 169042531) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-tert-butyl-2-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-propan-2-yloxypyrimidine
PubChem CID169042531
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-tert-butyl-2-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-12-7-6-9(13-10)11(3,4)5/h6-8H,1-5H3
InChIKeyHUJSCQDURPXHFK-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-propan-2-yloxypyrimidine?
The IUPAC name of 4-tert-butyl-2-propan-2-yloxypyrimidine (CID 169042531) is 4-tert-butyl-2-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-tert-butyl-2-propan-2-yloxypyrimidine?
The canonical SMILES for 4-tert-butyl-2-propan-2-yloxypyrimidine is CC(C)Oc1nccc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-2-propan-2-yloxypyrimidine?
The InChIKey is HUJSCQDURPXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)14-10-12-7-6-9(13-10)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 4-tert-butyl-2-propan-2-yloxypyrimidine?
4-tert-butyl-2-propan-2-yloxypyrimidine has a molecular weight of 194.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-propan-2-yloxypyrimidine is sourced from PubChem (CID 169042531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).