5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one

C13H12Br2N2O3 — CID 136774563

IUPAC5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2cc(OC)ccc2Br)[nH]c(=O)c1Br
InChIInChI=1S/C13H12Br2N2O3/c1-19-6-10-11(15)13(18)17-12(16-10)8-5-7(20-2)3-4-9(8)14/h3-5H,6H2,1-2H3,(H,16,17,18)
InChIKeyDLOWSPSXALIAHS-UHFFFAOYSA-N
MW404.06 g/mol
LogP3.12
Rot. Bonds4

About 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one

5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136774563) has the molecular formula C13H12Br2N2O3 and a molecular weight of 404.06 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136774563
Molecular FormulaC13H12Br2N2O3
Molecular Weight404.06 g/mol
Exact Mass401.92
IUPAC Name5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2cc(OC)ccc2Br)[nH]c(=O)c1Br
InChIInChI=1S/C13H12Br2N2O3/c1-19-6-10-11(15)13(18)17-12(16-10)8-5-7(20-2)3-4-9(8)14/h3-5H,6H2,1-2H3,(H,16,17,18)
InChIKeyDLOWSPSXALIAHS-UHFFFAOYSA-N
XLogP3.12
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.06
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774549
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136774541
5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005322
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373797
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
5-bromo-2-(2-ethylpyrazol-3-yl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 137005380
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(4-bromo-2-methylphenyl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136886365
2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953
2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720650
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136696956

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136774563) is 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(-c2cc(OC)ccc2Br)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is DLOWSPSXALIAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O3/c1-19-6-10-11(15)13(18)17-12(16-10)8-5-7(20-2)3-4-9(8)14/h3-5H,6H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 404.06 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136774563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).