1-(4-tert-butylpyrimidin-5-yl)ethanone

C10H14N2O — CID 143881552

IUPAC1-(4-tert-butylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cncnc1C(C)(C)C
InChIInChI=1S/C10H14N2O/c1-7(13)8-5-11-6-12-9(8)10(2,3)4/h5-6H,1-4H3
InChIKeyZLCKSYKXXCTIFI-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.98
Rot. Bonds1

About 1-(4-tert-butylpyrimidin-5-yl)ethanone

1-(4-tert-butylpyrimidin-5-yl)ethanone (PubChem CID 143881552) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4-tert-butylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylpyrimidin-5-yl)ethanone
PubChem CID143881552
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(4-tert-butylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cncnc1C(C)(C)C
InChIInChI=1S/C10H14N2O/c1-7(13)8-5-11-6-12-9(8)10(2,3)4/h5-6H,1-4H3
InChIKeyZLCKSYKXXCTIFI-UHFFFAOYSA-N
XLogP1.98
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butylpyrimidin-5-yl)ethanone (CID 143881552) is 1-(4-tert-butylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylpyrimidin-5-yl)ethanone is CC(=O)c1cncnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylpyrimidin-5-yl)ethanone?
The InChIKey is ZLCKSYKXXCTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(13)8-5-11-6-12-9(8)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-(4-tert-butylpyrimidin-5-yl)ethanone?
1-(4-tert-butylpyrimidin-5-yl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 143881552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).