5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

C22H25BrN6O5S — CID 21041285

IUPAC5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
SMILESCOc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CCCC3)c2-c2ccc(Br)cc2)nc1
InChIInChI=1S/C22H25BrN6O5S/c1-32-18-12-24-22(25-13-18)34-11-10-33-21-19(15-6-8-16(23)9-7-15)20(26-14-27-21)29-35(30,31)28-17-4-2-3-5-17/h6-9,12-14,17,28H,2-5,10-11H2,1H3,(H,26,27,29)
InChIKeyASLHUBXUHZDUMZ-UHFFFAOYSA-N
MW565.45 g/mol
LogP3.35
Rot. Bonds11

About 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (PubChem CID 21041285) has the molecular formula C22H25BrN6O5S and a molecular weight of 565.45 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
PubChem CID21041285
Molecular FormulaC22H25BrN6O5S
Molecular Weight565.45 g/mol
Exact Mass564.08
IUPAC Name5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
SMILESCOc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CCCC3)c2-c2ccc(Br)cc2)nc1
InChIInChI=1S/C22H25BrN6O5S/c1-32-18-12-24-22(25-13-18)34-11-10-33-21-19(15-6-8-16(23)9-7-15)20(26-14-27-21)29-35(30,31)28-17-4-2-3-5-17/h6-9,12-14,17,28H,2-5,10-11H2,1H3,(H,26,27,29)
InChIKeyASLHUBXUHZDUMZ-UHFFFAOYSA-N
XLogP3.35
TPSA137.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine 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-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (CID 21041285) is 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is COc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CCCC3)c2-c2ccc(Br)cc2)nc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The InChIKey is ASLHUBXUHZDUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN6O5S/c1-32-18-12-24-22(25-13-18)34-11-10-33-21-19(15-6-8-16(23)9-7-15)20(26-14-27-21)29-35(30,31)28-17-4-2-3-5-17/h6-9,12-14,17,28H,2-5,10-11H2,1H3,(H,26,27,29).
What are the key properties of 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine has a molecular weight of 565.45 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is sourced from PubChem (CID 21041285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).