2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one

C11H12N2O — CID 3053739

IUPAC2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cccc(C)n2c(=O)c1C
InChIInChI=1S/C11H12N2O/c1-7-5-4-6-10-12-9(3)8(2)11(14)13(7)10/h4-6H,1-3H3
InChIKeyPTLAJSCPOPLPHI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.62
Rot. Bonds

About 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one

2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 3053739) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID3053739
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cccc(C)n2c(=O)c1C
InChIInChI=1S/C11H12N2O/c1-7-5-4-6-10-12-9(3)8(2)11(14)13(7)10/h4-6H,1-3H3
InChIKeyPTLAJSCPOPLPHI-UHFFFAOYSA-N
XLogP1.62
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one (CID 3053739) is 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2cccc(C)n2c(=O)c1C.
What is the InChIKey of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PTLAJSCPOPLPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-5-4-6-10-12-9(3)8(2)11(14)13(7)10/h4-6H,1-3H3.
What are the key properties of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one?
2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3053739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).