6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one

C20H16N2O — CID 10828075

IUPAC6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n2c(=O)cc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C20H16N2O/c1-13-10-14(2)22-19(11-13)21-18(12-20(22)23)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3
InChIKeyHECFCGXIOQGMBA-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.13
Rot. Bonds1

About 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one

6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 10828075) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID10828075
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n2c(=O)cc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C20H16N2O/c1-13-10-14(2)22-19(11-13)21-18(12-20(22)23)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3
InChIKeyHECFCGXIOQGMBA-UHFFFAOYSA-N
XLogP4.13
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 10828075) is 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)n2c(=O)cc(-c3cccc4ccccc34)nc2c1.
What is the InChIKey of 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HECFCGXIOQGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-10-14(2)22-19(11-13)21-18(12-20(22)23)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3.
What are the key properties of 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10828075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).