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

C13H14N2O2 — CID 136955604

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

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

4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136955604) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136955604
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(C)n2)c(C)c1
InChIInChI=1S/C13H14N2O2/c1-8-6-10(17-3)4-5-11(8)12-7-13(16)15-9(2)14-12/h4-7H,1-3H3,(H,14,15,16)
InChIKeyKKGUZNFJMFDGCO-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

2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
6-(4-methoxy-2-methylphenyl)pyridin-3-ol
CID 53229332
4-(1-benzothiophen-7-yl)-2-methyl-1H-pyrimidin-6-one
CID 136769657
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399
2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80952600
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233
2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 136692542
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
2-(4-methoxy-2-methylphenyl)-6-propan-2-ylpyridine
CID 67473607
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one (CID 136955604) is 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(C)n2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KKGUZNFJMFDGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-10(17-3)4-5-11(8)12-7-13(16)15-9(2)14-12/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one?
4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-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-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).