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

C12H12N2O — CID 135473407

IUPAC2-ethyl-4-phenyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2O/c1-2-11-13-10(8-12(15)14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyCEYSKKBCEBTBFF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.00
Rot. Bonds2

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

2-ethyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135473407) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID135473407
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-ethyl-4-phenyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2O/c1-2-11-13-10(8-12(15)14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyCEYSKKBCEBTBFF-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 2-ethyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-phenyl-1H-pyrimidin-6-one (CID 135473407) is 2-ethyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-phenyl-1H-pyrimidin-6-one is CCc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is CEYSKKBCEBTBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-11-13-10(8-12(15)14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-ethyl-4-phenyl-1H-pyrimidin-6-one?
2-ethyl-4-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 2-ethyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).