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

C12H12N2O — CID 39767350

IUPAC5-(4-ethylphenyl)-1H-pyrimidin-2-one
SMILESCCc1ccc(-c2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C12H12N2O/c1-2-9-3-5-10(6-4-9)11-7-13-12(15)14-8-11/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyHDJUCKYWSJYLHD-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.00
Rot. Bonds2

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

5-(4-ethylphenyl)-1H-pyrimidin-2-one (PubChem CID 39767350) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1H-pyrimidin-2-one
PubChem CID39767350
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-(4-ethylphenyl)-1H-pyrimidin-2-one
SMILESCCc1ccc(-c2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C12H12N2O/c1-2-9-3-5-10(6-4-9)11-7-13-12(15)14-8-11/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyHDJUCKYWSJYLHD-UHFFFAOYSA-N
XLogP2.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-ethylphenyl)-1H-pyrimidin-2-one (CID 39767350) is 5-(4-ethylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-ethylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-ethylphenyl)-1H-pyrimidin-2-one is CCc1ccc(-c2cnc(=O)[nH]c2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1H-pyrimidin-2-one?
The InChIKey is HDJUCKYWSJYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-9-3-5-10(6-4-9)11-7-13-12(15)14-8-11/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-(4-ethylphenyl)-1H-pyrimidin-2-one?
5-(4-ethylphenyl)-1H-pyrimidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 39767350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).