1,2,6-trimethyl-5-phenylpyrimidin-4-one

C13H14N2O — CID 760082

IUPAC1,2,6-trimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1C
InChIInChI=1S/C13H14N2O/c1-9-12(11-7-5-4-6-8-11)13(16)14-10(2)15(9)3/h4-8H,1-3H3
InChIKeyIUCHSGJXMDBKCJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.06
Rot. Bonds1

About 1,2,6-trimethyl-5-phenylpyrimidin-4-one

1,2,6-trimethyl-5-phenylpyrimidin-4-one (PubChem CID 760082) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1,2,6-trimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1,2,6-trimethyl-5-phenylpyrimidin-4-one
PubChem CID760082
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1,2,6-trimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1C
InChIInChI=1S/C13H14N2O/c1-9-12(11-7-5-4-6-8-11)13(16)14-10(2)15(9)3/h4-8H,1-3H3
InChIKeyIUCHSGJXMDBKCJ-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1,2,6-trimethyl-5-phenylpyrimidin-4-one (CID 760082) is 1,2,6-trimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1,2,6-trimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1,2,6-trimethyl-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1C.
What is the InChIKey of 1,2,6-trimethyl-5-phenylpyrimidin-4-one?
The InChIKey is IUCHSGJXMDBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-12(11-7-5-4-6-8-11)13(16)14-10(2)15(9)3/h4-8H,1-3H3.
What are the key properties of 1,2,6-trimethyl-5-phenylpyrimidin-4-one?
1,2,6-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 1,2,6-trimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 760082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).