1,3-dimethylperimidin-2-one

C13H12N2O — CID 745098

IUPAC1,3-dimethylperimidin-2-one
SMILESCN1C(=O)N(C)c2cccc3cccc1c23
InChIInChI=1S/C13H12N2O/c1-14-10-7-3-5-9-6-4-8-11(12(9)10)15(2)13(14)16/h3-8H,1-2H3
InChIKeyWZWDLGNDEHWENW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.85
Rot. Bonds

About 1,3-dimethylperimidin-2-one

1,3-dimethylperimidin-2-one (PubChem CID 745098) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,3-dimethylperimidin-2-one.

Molecular Properties

Compound Name1,3-dimethylperimidin-2-one
PubChem CID745098
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1,3-dimethylperimidin-2-one
SMILESCN1C(=O)N(C)c2cccc3cccc1c23
InChIInChI=1S/C13H12N2O/c1-14-10-7-3-5-9-6-4-8-11(12(9)10)15(2)13(14)16/h3-8H,1-2H3
InChIKeyWZWDLGNDEHWENW-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylperimidin-2-one?
The IUPAC name of 1,3-dimethylperimidin-2-one (CID 745098) is 1,3-dimethylperimidin-2-one.
What is the SMILES notation for 1,3-dimethylperimidin-2-one?
The canonical SMILES for 1,3-dimethylperimidin-2-one is CN1C(=O)N(C)c2cccc3cccc1c23.
What is the InChIKey of 1,3-dimethylperimidin-2-one?
The InChIKey is WZWDLGNDEHWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-14-10-7-3-5-9-6-4-8-11(12(9)10)15(2)13(14)16/h3-8H,1-2H3.
What are the key properties of 1,3-dimethylperimidin-2-one?
1,3-dimethylperimidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylperimidin-2-one is sourced from PubChem (CID 745098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).