5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine

C9H9BrClN3 — CID 106196085

IUPAC5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
SMILESClc1ncnc(NC2CC=CC2)c1Br
InChIInChI=1S/C9H9BrClN3/c10-7-8(11)12-5-13-9(7)14-6-3-1-2-4-6/h1-2,5-6H,3-4H2,(H,12,13,14)
InChIKeySIHXDGQCHBRTFD-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.02
Rot. Bonds2

About 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine

5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine (PubChem CID 106196085) has the molecular formula C9H9BrClN3 and a molecular weight of 274.55 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
PubChem CID106196085
Molecular FormulaC9H9BrClN3
Molecular Weight274.55 g/mol
Exact Mass272.97
IUPAC Name5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
SMILESClc1ncnc(NC2CC=CC2)c1Br
InChIInChI=1S/C9H9BrClN3/c10-7-8(11)12-5-13-9(7)14-6-3-1-2-4-6/h1-2,5-6H,3-4H2,(H,12,13,14)
InChIKeySIHXDGQCHBRTFD-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine (CID 106196085) is 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine is Clc1ncnc(NC2CC=CC2)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
The InChIKey is SIHXDGQCHBRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3/c10-7-8(11)12-5-13-9(7)14-6-3-1-2-4-6/h1-2,5-6H,3-4H2,(H,12,13,14).
What are the key properties of 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine has a molecular weight of 274.55 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine is sourced from PubChem (CID 106196085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).