2,3,6-trimethyl-5-phenylpyrimidin-4-one

C13H14N2O — CID 776568

IUPAC2,3,6-trimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(C)n(C)c(=O)c1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-9-12(11-7-5-4-6-8-11)13(16)15(3)10(2)14-9/h4-8H,1-3H3
InChIKeyOMEQABFSMVKBOX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.06
Rot. Bonds1

About 2,3,6-trimethyl-5-phenylpyrimidin-4-one

2,3,6-trimethyl-5-phenylpyrimidin-4-one (PubChem CID 776568) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2,3,6-trimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2,3,6-trimethyl-5-phenylpyrimidin-4-one
PubChem CID776568
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2,3,6-trimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(C)n(C)c(=O)c1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-9-12(11-7-5-4-6-8-11)13(16)15(3)10(2)14-9/h4-8H,1-3H3
InChIKeyOMEQABFSMVKBOX-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3,6-trimethyl-5-phenylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 2,3,6-trimethyl-5-phenylpyrimidin-4-one (CID 776568) is 2,3,6-trimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 2,3,6-trimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 2,3,6-trimethyl-5-phenylpyrimidin-4-one is Cc1nc(C)n(C)c(=O)c1-c1ccccc1.
What is the InChIKey of 2,3,6-trimethyl-5-phenylpyrimidin-4-one?
The InChIKey is OMEQABFSMVKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-12(11-7-5-4-6-8-11)13(16)15(3)10(2)14-9/h4-8H,1-3H3.
What are the key properties of 2,3,6-trimethyl-5-phenylpyrimidin-4-one?
2,3,6-trimethyl-5-phenylpyrimidin-4-one has a molecular weight of 214.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 776568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).