5,6-dibromopyrimidin-4-amine

C4H3Br2N3 — CID 130067671

IUPAC5,6-dibromopyrimidin-4-amine
SMILESNc1ncnc(Br)c1Br
InChIInChI=1S/C4H3Br2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKeyPKUWASKUGGRLNQ-UHFFFAOYSA-N
MW252.90 g/mol
LogP1.58
Rot. Bonds

About 5,6-dibromopyrimidin-4-amine

5,6-dibromopyrimidin-4-amine (PubChem CID 130067671) has the molecular formula C4H3Br2N3 and a molecular weight of 252.90 g/mol. Its IUPAC name is 5,6-dibromopyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dibromopyrimidin-4-amine
PubChem CID130067671
Molecular FormulaC4H3Br2N3
Molecular Weight252.90 g/mol
Exact Mass250.87
IUPAC Name5,6-dibromopyrimidin-4-amine
SMILESNc1ncnc(Br)c1Br
InChIInChI=1S/C4H3Br2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKeyPKUWASKUGGRLNQ-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.90
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromopyrimidin-4-amine?
The IUPAC name of 5,6-dibromopyrimidin-4-amine (CID 130067671) is 5,6-dibromopyrimidin-4-amine.
What is the SMILES notation for 5,6-dibromopyrimidin-4-amine?
The canonical SMILES for 5,6-dibromopyrimidin-4-amine is Nc1ncnc(Br)c1Br.
What is the InChIKey of 5,6-dibromopyrimidin-4-amine?
The InChIKey is PKUWASKUGGRLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9).
What are the key properties of 5,6-dibromopyrimidin-4-amine?
5,6-dibromopyrimidin-4-amine has a molecular weight of 252.90 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromopyrimidin-4-amine is sourced from PubChem (CID 130067671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).