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

C15H18N2O — CID 136691708

IUPAC4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc(C)cc(C)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-5-13-16-14(11(4)15(18)17-13)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyNPOHGVKXYJHFFV-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds2

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

4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136691708) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136691708
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc(C)cc(C)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-5-13-16-14(11(4)15(18)17-13)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyNPOHGVKXYJHFFV-UHFFFAOYSA-N
XLogP2.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one (CID 136691708) is 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2cc(C)cc(C)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NPOHGVKXYJHFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-13-16-14(11(4)15(18)17-13)12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one?
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).