5-(4-methylphenyl)-1H-pyrimidin-2-one

C11H10N2O — CID 52984064

IUPAC5-(4-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
InChIKeyFMONARIKHZLWQT-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.75
Rot. Bonds1

About 5-(4-methylphenyl)-1H-pyrimidin-2-one

5-(4-methylphenyl)-1H-pyrimidin-2-one (PubChem CID 52984064) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-1H-pyrimidin-2-one
PubChem CID52984064
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name5-(4-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
InChIKeyFMONARIKHZLWQT-UHFFFAOYSA-N
XLogP1.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-methylphenyl)-1H-pyrimidin-2-one (CID 52984064) is 5-(4-methylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-methylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-methylphenyl)-1H-pyrimidin-2-one is Cc1ccc(-c2cnc(=O)[nH]c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1H-pyrimidin-2-one?
The InChIKey is FMONARIKHZLWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-(4-methylphenyl)-1H-pyrimidin-2-one?
5-(4-methylphenyl)-1H-pyrimidin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 52984064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).