5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine

C10H6Br3N3 — CID 107603072

IUPAC5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
SMILESBrc1cncnc1Nc1c(Br)cccc1Br
InChIInChI=1S/C10H6Br3N3/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyHHZOZMBUFQFWGW-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.51
Rot. Bonds2

About 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine

5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine (PubChem CID 107603072) has the molecular formula C10H6Br3N3 and a molecular weight of 407.89 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
PubChem CID107603072
Molecular FormulaC10H6Br3N3
Molecular Weight407.89 g/mol
Exact Mass404.81
IUPAC Name5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
SMILESBrc1cncnc1Nc1c(Br)cccc1Br
InChIInChI=1S/C10H6Br3N3/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyHHZOZMBUFQFWGW-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine (CID 107603072) is 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine is Brc1cncnc1Nc1c(Br)cccc1Br.
What is the InChIKey of 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine?
The InChIKey is HHZOZMBUFQFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br3N3/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,(H,14,15,16).
What are the key properties of 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine?
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine has a molecular weight of 407.89 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine is sourced from PubChem (CID 107603072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).