3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one

C14H15BrN2O2 — CID 63769907

IUPAC3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1ccc(Br)cc1Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H15BrN2O2/c1-9-6-14(18)17(10(2)16-9)8-11-7-12(15)4-5-13(11)19-3/h4-7H,8H2,1-3H3
InChIKeyUJZGZYIFRKPKKI-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.68
Rot. Bonds3

About 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one

3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769907) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769907
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1ccc(Br)cc1Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H15BrN2O2/c1-9-6-14(18)17(10(2)16-9)8-11-7-12(15)4-5-13(11)19-3/h4-7H,8H2,1-3H3
InChIKeyUJZGZYIFRKPKKI-UHFFFAOYSA-N
XLogP2.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65344331
8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 27954450
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
[2-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]phenyl]boronic acid
CID 63770082
3-[(3-bromo-5-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 79702942
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
3-[(3-bromophenyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374323
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
3-[(5-bromo-2-methoxyphenyl)methyl]-5-iodo-1,3-benzoxazol-2-one
CID 79783341
3,5-dibromo-1-[(5-bromo-2-methoxyphenyl)methyl]pyrazole
CID 114692719
3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769351
2-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-1-one
CID 78915730

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one (CID 63769907) is 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one is COc1ccc(Br)cc1Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is UJZGZYIFRKPKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-6-14(18)17(10(2)16-9)8-11-7-12(15)4-5-13(11)19-3/h4-7H,8H2,1-3H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one?
3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 323.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).