4-ethyl-2-phenyl-1H-pyrimidin-6-one

C12H12N2O — CID 135629822

IUPAC4-ethyl-2-phenyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C12H12N2O/c1-2-10-8-11(15)14-12(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyZKURTKRSYBCVOM-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.00
Rot. Bonds2

About 4-ethyl-2-phenyl-1H-pyrimidin-6-one

4-ethyl-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135629822) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-phenyl-1H-pyrimidin-6-one
PubChem CID135629822
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-ethyl-2-phenyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C12H12N2O/c1-2-10-8-11(15)14-12(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyZKURTKRSYBCVOM-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 4-ethyl-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-phenyl-1H-pyrimidin-6-one (CID 135629822) is 4-ethyl-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-phenyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccccc2)n1.
What is the InChIKey of 4-ethyl-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is ZKURTKRSYBCVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-10-8-11(15)14-12(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 4-ethyl-2-phenyl-1H-pyrimidin-6-one?
4-ethyl-2-phenyl-1H-pyrimidin-6-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 4-ethyl-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135629822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).