2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

C12H16N4O — CID 162660614

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C12H16N4O/c1-5-10-8(3)15-16(9(10)4)12-13-7(2)6-11(17)14-12/h6H,5H2,1-4H3,(H,13,14,17)
InChIKeyVULGLSIOGCEQKW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 162660614) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID162660614
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C12H16N4O/c1-5-10-8(3)15-16(9(10)4)12-13-7(2)6-11(17)14-12/h6H,5H2,1-4H3,(H,13,14,17)
InChIKeyVULGLSIOGCEQKW-UHFFFAOYSA-N
XLogP1.44
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 162660614) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VULGLSIOGCEQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-5-10-8(3)15-16(9(10)4)12-13-7(2)6-11(17)14-12/h6H,5H2,1-4H3,(H,13,14,17).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162660614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).