4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one

C13H16N2O — CID 794724

IUPAC4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one
SMILESCC1=CC(C)(C)NC(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)
InChIKeyFOSLNMGBIYWUKX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.90
Rot. Bonds1

About 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one

4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one (PubChem CID 794724) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one
PubChem CID794724
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one
SMILESCC1=CC(C)(C)NC(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16)
InChIKeyFOSLNMGBIYWUKX-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one (CID 794724) is 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one is CC1=CC(C)(C)NC(=O)N1c1ccccc1.
What is the InChIKey of 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one?
The InChIKey is FOSLNMGBIYWUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,16).
What are the key properties of 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one?
4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-3-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 794724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).