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

C14H16N2O — CID 136769791

IUPAC5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)c(-c2nc[nH]c(=O)c2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-8-5-9(2)12(10(3)6-8)13-11(4)14(17)16-7-15-13/h5-7H,1-4H3,(H,15,16,17)
InChIKeyLVLCCQJXQMCGCR-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.67
Rot. Bonds1

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

5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one (PubChem CID 136769791) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
PubChem CID136769791
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)c(-c2nc[nH]c(=O)c2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-8-5-9(2)12(10(3)6-8)13-11(4)14(17)16-7-15-13/h5-7H,1-4H3,(H,15,16,17)
InChIKeyLVLCCQJXQMCGCR-UHFFFAOYSA-N
XLogP2.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one (CID 136769791) is 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one is Cc1cc(C)c(-c2nc[nH]c(=O)c2C)c(C)c1.
What is the InChIKey of 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one?
The InChIKey is LVLCCQJXQMCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-5-9(2)12(10(3)6-8)13-11(4)14(17)16-7-15-13/h5-7H,1-4H3,(H,15,16,17).
What are the key properties of 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one?
5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one has a molecular weight of 228.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).