5-bromo-4-(tribromomethyl)pyrimidin-2-amine

C5H3Br4N3 — CID 86058700

IUPAC5-bromo-4-(tribromomethyl)pyrimidin-2-amine
SMILESNc1ncc(Br)c(C(Br)(Br)Br)n1
InChIInChI=1S/C5H3Br4N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyUTTWHHWRBBKMAC-UHFFFAOYSA-N
MW424.72 g/mol
LogP3.12
Rot. Bonds

About 5-bromo-4-(tribromomethyl)pyrimidin-2-amine

5-bromo-4-(tribromomethyl)pyrimidin-2-amine (PubChem CID 86058700) has the molecular formula C5H3Br4N3 and a molecular weight of 424.72 g/mol. Its IUPAC name is 5-bromo-4-(tribromomethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(tribromomethyl)pyrimidin-2-amine
PubChem CID86058700
Molecular FormulaC5H3Br4N3
Molecular Weight424.72 g/mol
Exact Mass420.71
IUPAC Name5-bromo-4-(tribromomethyl)pyrimidin-2-amine
SMILESNc1ncc(Br)c(C(Br)(Br)Br)n1
InChIInChI=1S/C5H3Br4N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyUTTWHHWRBBKMAC-UHFFFAOYSA-N
XLogP3.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(tribromomethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(tribromomethyl)pyrimidin-2-amine (CID 86058700) is 5-bromo-4-(tribromomethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(tribromomethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(tribromomethyl)pyrimidin-2-amine is Nc1ncc(Br)c(C(Br)(Br)Br)n1.
What is the InChIKey of 5-bromo-4-(tribromomethyl)pyrimidin-2-amine?
The InChIKey is UTTWHHWRBBKMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br4N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12).
What are the key properties of 5-bromo-4-(tribromomethyl)pyrimidin-2-amine?
5-bromo-4-(tribromomethyl)pyrimidin-2-amine has a molecular weight of 424.72 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(tribromomethyl)pyrimidin-2-amine is sourced from PubChem (CID 86058700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).