6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine

C24H22ClN5O4S — CID 21041337

IUPAC6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C24H22ClN5O4S/c1-33-19-9-5-6-10-20(19)34-21-22(25)28-23(18-12-14-26-15-13-18)29-24(21)30-35(31,32)27-16-11-17-7-3-2-4-8-17/h2-10,12-15,27H,11,16H2,1H3,(H,28,29,30)
InChIKeyPXDQHPMVLZVOSX-UHFFFAOYSA-N
MW511.99 g/mol
LogP4.48
Rot. Bonds10

About 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine

6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 21041337) has the molecular formula C24H22ClN5O4S and a molecular weight of 511.99 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID21041337
Molecular FormulaC24H22ClN5O4S
Molecular Weight511.99 g/mol
Exact Mass511.11
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C24H22ClN5O4S/c1-33-19-9-5-6-10-20(19)34-21-22(25)28-23(18-12-14-26-15-13-18)29-24(21)30-35(31,32)27-16-11-17-7-3-2-4-8-17/h2-10,12-15,27H,11,16H2,1H3,(H,28,29,30)
InChIKeyPXDQHPMVLZVOSX-UHFFFAOYSA-N
XLogP4.48
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.99
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 21041337) is 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine is COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is PXDQHPMVLZVOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S/c1-33-19-9-5-6-10-20(19)34-21-22(25)28-23(18-12-14-26-15-13-18)29-24(21)30-35(31,32)27-16-11-17-7-3-2-4-8-17/h2-10,12-15,27H,11,16H2,1H3,(H,28,29,30).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 511.99 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 21041337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).