5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine

C12H11Br2N3O2 — CID 133435049

IUPAC5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)cn2)cc(OC)c1Br
InChIInChI=1S/C12H11Br2N3O2/c1-18-9-3-8(4-10(19-2)11(9)14)17-12-15-5-7(13)6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyJSKBQYXALCTJER-UHFFFAOYSA-N
MW389.05 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine

5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine (PubChem CID 133435049) has the molecular formula C12H11Br2N3O2 and a molecular weight of 389.05 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine
PubChem CID133435049
Molecular FormulaC12H11Br2N3O2
Molecular Weight389.05 g/mol
Exact Mass386.92
IUPAC Name5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)cn2)cc(OC)c1Br
InChIInChI=1S/C12H11Br2N3O2/c1-18-9-3-8(4-10(19-2)11(9)14)17-12-15-5-7(13)6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyJSKBQYXALCTJER-UHFFFAOYSA-N
XLogP3.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine (CID 133435049) is 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2ncc(Br)cn2)cc(OC)c1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is JSKBQYXALCTJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2/c1-18-9-3-8(4-10(19-2)11(9)14)17-12-15-5-7(13)6-16-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine?
5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 389.05 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 133435049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).