5-bromo-2-chloropyrimidin-4-amine

C4H3BrClN3 — CID 2763293

IUPAC5-bromo-2-chloropyrimidin-4-amine
SMILESNc1nc(Cl)ncc1Br
InChIInChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
InChIKeyQOWALNIZDHZTSM-UHFFFAOYSA-N
MW208.45 g/mol
LogP1.47
Rot. Bonds

About 5-bromo-2-chloropyrimidin-4-amine

5-bromo-2-chloropyrimidin-4-amine (PubChem CID 2763293) has the molecular formula C4H3BrClN3 and a molecular weight of 208.45 g/mol. Its IUPAC name is 5-bromo-2-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloropyrimidin-4-amine
PubChem CID2763293
Molecular FormulaC4H3BrClN3
Molecular Weight208.45 g/mol
Exact Mass206.92
IUPAC Name5-bromo-2-chloropyrimidin-4-amine
SMILESNc1nc(Cl)ncc1Br
InChIInChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
InChIKeyQOWALNIZDHZTSM-UHFFFAOYSA-N
XLogP1.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloropyrimidin-4-amine (CID 2763293) is 5-bromo-2-chloropyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloropyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloropyrimidin-4-amine is Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloropyrimidin-4-amine?
The InChIKey is QOWALNIZDHZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9).
What are the key properties of 5-bromo-2-chloropyrimidin-4-amine?
5-bromo-2-chloropyrimidin-4-amine has a molecular weight of 208.45 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyrimidin-4-amine is sourced from PubChem (CID 2763293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).