1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one

C18H28N2O2 — CID 171748809

IUPAC1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(C(=O)C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H28N2O2/c1-16(2,3)13(21)11-10-12(14(22)17(4,5)6)20-15(19-11)18(7,8)9/h10H,1-9H3
InChIKeyRLVWGIYTRSBRLX-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.23
Rot. Bonds2

About 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one

1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 171748809) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one
PubChem CID171748809
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(C(=O)C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H28N2O2/c1-16(2,3)13(21)11-10-12(14(22)17(4,5)6)20-15(19-11)18(7,8)9/h10H,1-9H3
InChIKeyRLVWGIYTRSBRLX-UHFFFAOYSA-N
XLogP4.23
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one (CID 171748809) is 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(C(=O)C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is RLVWGIYTRSBRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-16(2,3)13(21)11-10-12(14(22)17(4,5)6)20-15(19-11)18(7,8)9/h10H,1-9H3.
What are the key properties of 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one?
1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 171748809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).