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

C13H15N3O — CID 135645205

IUPAC2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-3-11-9(2)14-13(16-12(11)17)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyHJZCWLIMGLKKTR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.38
Rot. Bonds3

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

2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135645205) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135645205
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-3-11-9(2)14-13(16-12(11)17)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyHJZCWLIMGLKKTR-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135645205) is 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(Nc2ccccc2)[nH]c1=O.
What is the InChIKey of 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HJZCWLIMGLKKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-11-9(2)14-13(16-12(11)17)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135645205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).