5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine

C12H10Br3N3O2 — CID 106999102

IUPAC5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)c(OC)n2)c(Br)cc1Br
InChIInChI=1S/C12H10Br3N3O2/c1-19-10-4-9(6(13)3-7(10)14)17-12-16-5-8(15)11(18-12)20-2/h3-5H,1-2H3,(H,16,17,18)
InChIKeyLPXYYZFTCBOVJY-UHFFFAOYSA-N
MW467.94 g/mol
LogP4.52
Rot. Bonds4

About 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine (PubChem CID 106999102) has the molecular formula C12H10Br3N3O2 and a molecular weight of 467.94 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
PubChem CID106999102
Molecular FormulaC12H10Br3N3O2
Molecular Weight467.94 g/mol
Exact Mass464.83
IUPAC Name5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)c(OC)n2)c(Br)cc1Br
InChIInChI=1S/C12H10Br3N3O2/c1-19-10-4-9(6(13)3-7(10)14)17-12-16-5-8(15)11(18-12)20-2/h3-5H,1-2H3,(H,16,17,18)
InChIKeyLPXYYZFTCBOVJY-UHFFFAOYSA-N
XLogP4.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.94
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine (CID 106999102) is 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine is COc1cc(Nc2ncc(Br)c(OC)n2)c(Br)cc1Br.
What is the InChIKey of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine?
The InChIKey is LPXYYZFTCBOVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3N3O2/c1-19-10-4-9(6(13)3-7(10)14)17-12-16-5-8(15)11(18-12)20-2/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine has a molecular weight of 467.94 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106999102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).