4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one

C15H18N2O — CID 136774583

IUPAC4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)c(-c2nc(C)c(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C15H18N2O/c1-8-6-10(3)13(7-9(8)2)14-16-12(5)11(4)15(18)17-14/h6-7H,1-5H3,(H,16,17,18)
InChIKeyZWFWSDNLEGBHOK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.98
Rot. Bonds1

About 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one

4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one (PubChem CID 136774583) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
PubChem CID136774583
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)c(-c2nc(C)c(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C15H18N2O/c1-8-6-10(3)13(7-9(8)2)14-16-12(5)11(4)15(18)17-14/h6-7H,1-5H3,(H,16,17,18)
InChIKeyZWFWSDNLEGBHOK-UHFFFAOYSA-N
XLogP2.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one (CID 136774583) is 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one is Cc1cc(C)c(-c2nc(C)c(C)c(=O)[nH]2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
The InChIKey is ZWFWSDNLEGBHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-8-6-10(3)13(7-9(8)2)14-16-12(5)11(4)15(18)17-14/h6-7H,1-5H3,(H,16,17,18).
What are the key properties of 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136774583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).