5-bromopyrimidin-4-amine

C4H4BrN3 — CID 10261576

IUPAC5-bromopyrimidin-4-amine
SMILESNc1ncncc1Br
InChIInChI=1S/C4H4BrN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChIKeyIIFAONYUCDAVGA-UHFFFAOYSA-N
MW174.00 g/mol
LogP0.82
Rot. Bonds

About 5-bromopyrimidin-4-amine

5-bromopyrimidin-4-amine (PubChem CID 10261576) has the molecular formula C4H4BrN3 and a molecular weight of 174.00 g/mol. Its IUPAC name is 5-bromopyrimidin-4-amine.

Molecular Properties

Compound Name5-bromopyrimidin-4-amine
PubChem CID10261576
Molecular FormulaC4H4BrN3
Molecular Weight174.00 g/mol
Exact Mass172.96
IUPAC Name5-bromopyrimidin-4-amine
SMILESNc1ncncc1Br
InChIInChI=1S/C4H4BrN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChIKeyIIFAONYUCDAVGA-UHFFFAOYSA-N
XLogP0.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.00
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidin-4-amine?
The IUPAC name of 5-bromopyrimidin-4-amine (CID 10261576) is 5-bromopyrimidin-4-amine.
What is the SMILES notation for 5-bromopyrimidin-4-amine?
The canonical SMILES for 5-bromopyrimidin-4-amine is Nc1ncncc1Br.
What is the InChIKey of 5-bromopyrimidin-4-amine?
The InChIKey is IIFAONYUCDAVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8).
What are the key properties of 5-bromopyrimidin-4-amine?
5-bromopyrimidin-4-amine has a molecular weight of 174.00 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrimidin-4-amine is sourced from PubChem (CID 10261576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).