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

C13H14N2O3 — CID 136769335

IUPAC5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc[nH]c(=O)c2OC)c(C)c1
InChIInChI=1S/C13H14N2O3/c1-8-6-9(17-2)4-5-10(8)11-12(18-3)13(16)15-7-14-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyBIMWKEULMDDYKG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.76
Rot. Bonds3

About 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one

5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 136769335) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID136769335
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc[nH]c(=O)c2OC)c(C)c1
InChIInChI=1S/C13H14N2O3/c1-8-6-9(17-2)4-5-10(8)11-12(18-3)13(16)15-7-14-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyBIMWKEULMDDYKG-UHFFFAOYSA-N
XLogP1.76
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
CID 106518594
4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691696
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136692798
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one (CID 136769335) is 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2nc[nH]c(=O)c2OC)c(C)c1.
What is the InChIKey of 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is BIMWKEULMDDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-6-9(17-2)4-5-10(8)11-12(18-3)13(16)15-7-14-11/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).