1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one

C14H15BrN2O2 — CID 65325926

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(Br)c(Cn2c(C)cc(C)nc2=O)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-6-10(2)17(14(18)16-9)8-11-7-12(19-3)4-5-13(11)15/h4-7H,8H2,1-3H3
InChIKeyXRRADOYVQBDNKE-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.68
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one

1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 65325926) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
PubChem CID65325926
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(Br)c(Cn2c(C)cc(C)nc2=O)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-6-10(2)17(14(18)16-9)8-11-7-12(19-3)4-5-13(11)15/h4-7H,8H2,1-3H3
InChIKeyXRRADOYVQBDNKE-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

3-[(2-bromo-5-methoxyphenyl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581792
1-[(3-bromo-4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 54971038
3-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62018791
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 65326097
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092
3-[(2-bromo-5-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 65325780
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
2-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 65322784
1-[(2-chloro-3-pyridinyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 62470411

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one (CID 65325926) is 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one is COc1ccc(Br)c(Cn2c(C)cc(C)nc2=O)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is XRRADOYVQBDNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-6-10(2)17(14(18)16-9)8-11-7-12(19-3)4-5-13(11)15/h4-7H,8H2,1-3H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one?
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-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 1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 65325926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).