1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one

C12H13N3O — CID 23318774

IUPAC1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one
SMILESCc1cc(=O)n(C)c(C)c1-c1ncccn1
InChIInChI=1S/C12H13N3O/c1-8-7-10(16)15(3)9(2)11(8)12-13-5-4-6-14-12/h4-7H,1-3H3
InChIKeyAPKLHEPVDQNLGW-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.46
Rot. Bonds1

About 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one

1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one (PubChem CID 23318774) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one
PubChem CID23318774
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one
SMILESCc1cc(=O)n(C)c(C)c1-c1ncccn1
InChIInChI=1S/C12H13N3O/c1-8-7-10(16)15(3)9(2)11(8)12-13-5-4-6-14-12/h4-7H,1-3H3
InChIKeyAPKLHEPVDQNLGW-UHFFFAOYSA-N
XLogP1.46
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one (CID 23318774) is 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one is Cc1cc(=O)n(C)c(C)c1-c1ncccn1.
What is the InChIKey of 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one?
The InChIKey is APKLHEPVDQNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-7-10(16)15(3)9(2)11(8)12-13-5-4-6-14-12/h4-7H,1-3H3.
What are the key properties of 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one?
1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-5-pyrimidin-2-ylpyridin-2-one is sourced from PubChem (CID 23318774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).