5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine

C13H11Br2ClN2S — CID 113390303

IUPAC5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
SMILESClc1nc(-c2sccc2Br)nc(C2CCCC2)c1Br
InChIInChI=1S/C13H11Br2ClN2S/c14-8-5-6-19-11(8)13-17-10(7-3-1-2-4-7)9(15)12(16)18-13/h5-7H,1-4H2
InChIKeyUWNMEDNNPIMMIG-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.04
Rot. Bonds2

About 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine

5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine (PubChem CID 113390303) has the molecular formula C13H11Br2ClN2S and a molecular weight of 422.57 g/mol. Its IUPAC name is 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
PubChem CID113390303
Molecular FormulaC13H11Br2ClN2S
Molecular Weight422.57 g/mol
Exact Mass419.87
IUPAC Name5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
SMILESClc1nc(-c2sccc2Br)nc(C2CCCC2)c1Br
InChIInChI=1S/C13H11Br2ClN2S/c14-8-5-6-19-11(8)13-17-10(7-3-1-2-4-7)9(15)12(16)18-13/h5-7H,1-4H2
InChIKeyUWNMEDNNPIMMIG-UHFFFAOYSA-N
XLogP6.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine?
The IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine (CID 113390303) is 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine.
What is the SMILES notation for 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine?
The canonical SMILES for 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine is Clc1nc(-c2sccc2Br)nc(C2CCCC2)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine?
The InChIKey is UWNMEDNNPIMMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2S/c14-8-5-6-19-11(8)13-17-10(7-3-1-2-4-7)9(15)12(16)18-13/h5-7H,1-4H2.
What are the key properties of 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine?
5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine has a molecular weight of 422.57 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine is sourced from PubChem (CID 113390303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).