1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one

C13H14N2O2 — CID 612085

IUPAC1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(-n2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C13H14N2O2/c1-9-8-10(2)15(13(16)14-9)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3
InChIKeyZXTXPQWMNWTARR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one

1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 612085) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
PubChem CID612085
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(-n2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C13H14N2O2/c1-9-8-10(2)15(13(16)14-9)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3
InChIKeyZXTXPQWMNWTARR-UHFFFAOYSA-N
XLogP1.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 5337650
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
CID 19754215
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 12596963
4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one
CID 3682674
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 16791728
1-(4-methoxyphenyl)cyclohepta[d]imidazol-2-one
CID 15423123
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 65325926
1-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-methylpyridin-2-one
CID 13416517
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
7-(4-methoxyphenyl)-6-methyl-2H-2,7-naphthyridine-1,8-dione
CID 164899626
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one (CID 612085) is 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one is COc1ccc(-n2c(C)cc(C)nc2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is ZXTXPQWMNWTARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-8-10(2)15(13(16)14-9)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one?
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 612085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).