5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

C15H18N2O — CID 135401373

IUPAC5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(Cc2c(C)nc(C)[nH]c2=O)c1
InChIInChI=1S/C15H18N2O/c1-9-5-6-10(2)13(7-9)8-14-11(3)16-12(4)17-15(14)18/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyINHHDECYXVWPQT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.59
Rot. Bonds2

About 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135401373) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135401373
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(Cc2c(C)nc(C)[nH]c2=O)c1
InChIInChI=1S/C15H18N2O/c1-9-5-6-10(2)13(7-9)8-14-11(3)16-12(4)17-15(14)18/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyINHHDECYXVWPQT-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135401373) is 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1ccc(C)c(Cc2c(C)nc(C)[nH]c2=O)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is INHHDECYXVWPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-5-6-10(2)13(7-9)8-14-11(3)16-12(4)17-15(14)18/h5-7H,8H2,1-4H3,(H,16,17,18).
What are the key properties of 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135401373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).