2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one

C13H14N2O — CID 135415475

IUPAC2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H14N2O/c1-3-11-14-9(2)12(13(16)15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyIPQBVKLZYYDUBA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.31
Rot. Bonds2

About 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one

2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one (PubChem CID 135415475) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one
PubChem CID135415475
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H14N2O/c1-3-11-14-9(2)12(13(16)15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyIPQBVKLZYYDUBA-UHFFFAOYSA-N
XLogP2.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one (CID 135415475) is 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one is CCc1nc(C)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is IPQBVKLZYYDUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-11-14-9(2)12(13(16)15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one?
2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 214.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135415475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).