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

C14H16N2O2 — CID 116894751

IUPAC4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCOc1cc(C)c(C)cc1-c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C14H16N2O2/c1-8-5-11(13(18-4)6-9(8)2)12-7-10(3)15-14(17)16-12/h5-7H,1-4H3,(H,15,16,17)
InChIKeyDWBUOGUFAVCVTE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.37
Rot. Bonds2

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

4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 116894751) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID116894751
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCOc1cc(C)c(C)cc1-c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C14H16N2O2/c1-8-5-11(13(18-4)6-9(8)2)12-7-10(3)15-14(17)16-12/h5-7H,1-4H3,(H,15,16,17)
InChIKeyDWBUOGUFAVCVTE-UHFFFAOYSA-N
XLogP2.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 116894689
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894823
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
6-methyl-4-quinolin-8-yl-1H-pyrimidin-2-one
CID 106519681
2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293771
3-amino-4-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485021
6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
CID 46998821
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
CID 103922854

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one (CID 116894751) is 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one is COc1cc(C)c(C)cc1-c1cc(C)[nH]c(=O)n1.
What is the InChIKey of 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is DWBUOGUFAVCVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-5-11(13(18-4)6-9(8)2)12-7-10(3)15-14(17)16-12/h5-7H,1-4H3,(H,15,16,17).
What are the key properties of 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one?
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 116894751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).