6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine

C24H22ClN5O5S — CID 21041335

IUPAC6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(CNS(=O)(=O)Nc2nc(-c3ccncc3)nc(Cl)c2Oc2ccccc2OC)cc1
InChIInChI=1S/C24H22ClN5O5S/c1-33-18-9-7-16(8-10-18)15-27-36(31,32)30-24-21(35-20-6-4-3-5-19(20)34-2)22(25)28-23(29-24)17-11-13-26-14-12-17/h3-14,27H,15H2,1-2H3,(H,28,29,30)
InChIKeyFNMCLVFWICEKPF-UHFFFAOYSA-N
MW527.99 g/mol
LogP4.45
Rot. Bonds10

About 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine

6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 21041335) has the molecular formula C24H22ClN5O5S and a molecular weight of 527.99 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID21041335
Molecular FormulaC24H22ClN5O5S
Molecular Weight527.99 g/mol
Exact Mass527.10
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(CNS(=O)(=O)Nc2nc(-c3ccncc3)nc(Cl)c2Oc2ccccc2OC)cc1
InChIInChI=1S/C24H22ClN5O5S/c1-33-18-9-7-16(8-10-18)15-27-36(31,32)30-24-21(35-20-6-4-3-5-19(20)34-2)22(25)28-23(29-24)17-11-13-26-14-12-17/h3-14,27H,15H2,1-2H3,(H,28,29,30)
InChIKeyFNMCLVFWICEKPF-UHFFFAOYSA-N
XLogP4.45
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.99
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 21041335) is 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine is COc1ccc(CNS(=O)(=O)Nc2nc(-c3ccncc3)nc(Cl)c2Oc2ccccc2OC)cc1.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is FNMCLVFWICEKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O5S/c1-33-18-9-7-16(8-10-18)15-27-36(31,32)30-24-21(35-20-6-4-3-5-19(20)34-2)22(25)28-23(29-24)17-11-13-26-14-12-17/h3-14,27H,15H2,1-2H3,(H,28,29,30).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 527.99 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 21041335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).