4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one

C13H14N2O2 — CID 116894741

IUPAC4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C)[nH]c(=O)n2)cc1C
InChIInChI=1S/C13H14N2O2/c1-8-6-10(4-5-12(8)17-3)11-7-9(2)14-13(16)15-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyZTORLSDEOHFUHG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.06
Rot. Bonds2

About 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one

4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 116894741) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID116894741
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C)[nH]c(=O)n2)cc1C
InChIInChI=1S/C13H14N2O2/c1-8-6-10(4-5-12(8)17-3)11-7-9(2)14-13(16)15-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyZTORLSDEOHFUHG-UHFFFAOYSA-N
XLogP2.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894751
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 105487597
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
CID 103922854
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
6-(4-methoxy-3-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 163362345
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
CID 39401121
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one (CID 116894741) is 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one is COc1ccc(-c2cc(C)[nH]c(=O)n2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is ZTORLSDEOHFUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-10(4-5-12(8)17-3)11-7-9(2)14-13(16)15-11/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 116894741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).