3,5,6-tritert-butylpyrimidin-4-one

C16H28N2O — CID 59864260

IUPAC3,5,6-tritert-butylpyrimidin-4-one
SMILESCC(C)(C)c1ncn(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-14(2,3)11-12(15(4,5)6)17-10-18(13(11)19)16(7,8)9/h10H,1-9H3
InChIKeyZWQLCKMZZSTNME-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.59
Rot. Bonds

About 3,5,6-tritert-butylpyrimidin-4-one

3,5,6-tritert-butylpyrimidin-4-one (PubChem CID 59864260) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3,5,6-tritert-butylpyrimidin-4-one.

Molecular Properties

Compound Name3,5,6-tritert-butylpyrimidin-4-one
PubChem CID59864260
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3,5,6-tritert-butylpyrimidin-4-one
SMILESCC(C)(C)c1ncn(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-14(2,3)11-12(15(4,5)6)17-10-18(13(11)19)16(7,8)9/h10H,1-9H3
InChIKeyZWQLCKMZZSTNME-UHFFFAOYSA-N
XLogP3.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-tritert-butylpyrimidin-4-one?
The IUPAC name of 3,5,6-tritert-butylpyrimidin-4-one (CID 59864260) is 3,5,6-tritert-butylpyrimidin-4-one.
What is the SMILES notation for 3,5,6-tritert-butylpyrimidin-4-one?
The canonical SMILES for 3,5,6-tritert-butylpyrimidin-4-one is CC(C)(C)c1ncn(C(C)(C)C)c(=O)c1C(C)(C)C.
What is the InChIKey of 3,5,6-tritert-butylpyrimidin-4-one?
The InChIKey is ZWQLCKMZZSTNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2,3)11-12(15(4,5)6)17-10-18(13(11)19)16(7,8)9/h10H,1-9H3.
What are the key properties of 3,5,6-tritert-butylpyrimidin-4-one?
3,5,6-tritert-butylpyrimidin-4-one has a molecular weight of 264.41 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-tritert-butylpyrimidin-4-one is sourced from PubChem (CID 59864260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).