5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one

C15H15BrN2O3 — CID 66308125

IUPAC5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCCOc1ccc(C(=O)Cn2cnc(C)c(Br)c2=O)cc1
InChIInChI=1S/C15H15BrN2O3/c1-3-21-12-6-4-11(5-7-12)13(19)8-18-9-17-10(2)14(16)15(18)20/h4-7,9H,3,8H2,1-2H3
InChIKeyKGKLJQPWCDSZAI-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.60
Rot. Bonds5

About 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one

5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one (PubChem CID 66308125) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one
PubChem CID66308125
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCCOc1ccc(C(=O)Cn2cnc(C)c(Br)c2=O)cc1
InChIInChI=1S/C15H15BrN2O3/c1-3-21-12-6-4-11(5-7-12)13(19)8-18-9-17-10(2)14(16)15(18)20/h4-7,9H,3,8H2,1-2H3
InChIKeyKGKLJQPWCDSZAI-UHFFFAOYSA-N
XLogP2.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66311109
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66308123
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915
5-bromo-6-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrimidin-4-one
CID 66308336
5-bromo-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 66309623
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312406
5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708384
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 78561368
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
N-(4-aminophenyl)-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66311085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one (CID 66308125) is 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one is CCOc1ccc(C(=O)Cn2cnc(C)c(Br)c2=O)cc1.
What is the InChIKey of 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one?
The InChIKey is KGKLJQPWCDSZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-3-21-12-6-4-11(5-7-12)13(19)8-18-9-17-10(2)14(16)15(18)20/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one?
5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one has a molecular weight of 351.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 66308125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).