2,4,6-tritert-butylpyrimidine

C16H28N2 — CID 3440137

IUPAC2,4,6-tritert-butylpyrimidine
SMILESCC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N2/c1-14(2,3)11-10-12(15(4,5)6)18-13(17-11)16(7,8)9/h10H,1-9H3
InChIKeyVYWSYEDVFVGRGG-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.37
Rot. Bonds

About 2,4,6-tritert-butylpyrimidine

2,4,6-tritert-butylpyrimidine (PubChem CID 3440137) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2,4,6-tritert-butylpyrimidine.

Molecular Properties

Compound Name2,4,6-tritert-butylpyrimidine
PubChem CID3440137
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2,4,6-tritert-butylpyrimidine
SMILESCC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N2/c1-14(2,3)11-10-12(15(4,5)6)18-13(17-11)16(7,8)9/h10H,1-9H3
InChIKeyVYWSYEDVFVGRGG-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tritert-butylpyrimidine?
The IUPAC name of 2,4,6-tritert-butylpyrimidine (CID 3440137) is 2,4,6-tritert-butylpyrimidine.
What is the SMILES notation for 2,4,6-tritert-butylpyrimidine?
The canonical SMILES for 2,4,6-tritert-butylpyrimidine is CC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4,6-tritert-butylpyrimidine?
The InChIKey is VYWSYEDVFVGRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(2,3)11-10-12(15(4,5)6)18-13(17-11)16(7,8)9/h10H,1-9H3.
What are the key properties of 2,4,6-tritert-butylpyrimidine?
2,4,6-tritert-butylpyrimidine has a molecular weight of 248.41 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tritert-butylpyrimidine is sourced from PubChem (CID 3440137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).