3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one

C17H23N3O — CID 146511954

IUPAC3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccnc(CC(C)(C)c2ccc[nH]c2=O)n1
InChIInChI=1S/C17H23N3O/c1-16(2,3)13-8-10-18-14(20-13)11-17(4,5)12-7-6-9-19-15(12)21/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyWPPMVEXSATWYFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.98
Rot. Bonds3

About 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one

3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one (PubChem CID 146511954) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one
PubChem CID146511954
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccnc(CC(C)(C)c2ccc[nH]c2=O)n1
InChIInChI=1S/C17H23N3O/c1-16(2,3)13-8-10-18-14(20-13)11-17(4,5)12-7-6-9-19-15(12)21/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyWPPMVEXSATWYFL-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one (CID 146511954) is 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one is CC(C)(C)c1ccnc(CC(C)(C)c2ccc[nH]c2=O)n1.
What is the InChIKey of 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one?
The InChIKey is WPPMVEXSATWYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2,3)13-8-10-18-14(20-13)11-17(4,5)12-7-6-9-19-15(12)21/h6-10H,11H2,1-5H3,(H,19,21).
What are the key properties of 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one?
3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 146511954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).