5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine

C11H11BrClN3 — CID 86596499

IUPAC5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1c(Br)cn2C1CCCC1
InChIInChI=1S/C11H11BrClN3/c12-8-5-16(7-3-1-2-4-7)11-9(8)10(13)14-6-15-11/h5-7H,1-4H2
InChIKeyQLNKKZJTGNTSNQ-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.96
Rot. Bonds1

About 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine

5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine (PubChem CID 86596499) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine
PubChem CID86596499
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1c(Br)cn2C1CCCC1
InChIInChI=1S/C11H11BrClN3/c12-8-5-16(7-3-1-2-4-7)11-9(8)10(13)14-6-15-11/h5-7H,1-4H2
InChIKeyQLNKKZJTGNTSNQ-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine (CID 86596499) is 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine is Clc1ncnc2c1c(Br)cn2C1CCCC1.
What is the InChIKey of 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
The InChIKey is QLNKKZJTGNTSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c12-8-5-16(7-3-1-2-4-7)11-9(8)10(13)14-6-15-11/h5-7H,1-4H2.
What are the key properties of 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine?
5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine has a molecular weight of 300.59 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 86596499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).