1,3-diethylperimidin-2-one

C15H16N2O — CID 802300

IUPAC1,3-diethylperimidin-2-one
SMILESCCN1C(=O)N(CC)c2cccc3cccc1c23
InChIInChI=1S/C15H16N2O/c1-3-16-12-9-5-7-11-8-6-10-13(14(11)12)17(4-2)15(16)18/h5-10H,3-4H2,1-2H3
InChIKeyGGJMKLZRNHEOJQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.63
Rot. Bonds2

About 1,3-diethylperimidin-2-one

1,3-diethylperimidin-2-one (PubChem CID 802300) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,3-diethylperimidin-2-one.

Molecular Properties

Compound Name1,3-diethylperimidin-2-one
PubChem CID802300
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1,3-diethylperimidin-2-one
SMILESCCN1C(=O)N(CC)c2cccc3cccc1c23
InChIInChI=1S/C15H16N2O/c1-3-16-12-9-5-7-11-8-6-10-13(14(11)12)17(4-2)15(16)18/h5-10H,3-4H2,1-2H3
InChIKeyGGJMKLZRNHEOJQ-UHFFFAOYSA-N
XLogP3.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylperimidin-2-one?
The IUPAC name of 1,3-diethylperimidin-2-one (CID 802300) is 1,3-diethylperimidin-2-one.
What is the SMILES notation for 1,3-diethylperimidin-2-one?
The canonical SMILES for 1,3-diethylperimidin-2-one is CCN1C(=O)N(CC)c2cccc3cccc1c23.
What is the InChIKey of 1,3-diethylperimidin-2-one?
The InChIKey is GGJMKLZRNHEOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-16-12-9-5-7-11-8-6-10-13(14(11)12)17(4-2)15(16)18/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,3-diethylperimidin-2-one?
1,3-diethylperimidin-2-one has a molecular weight of 240.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylperimidin-2-one is sourced from PubChem (CID 802300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).