6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine

C26H27N5O5S — CID 10279669

IUPAC6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OC
InChIInChI=1S/C26H27N5O5S/c1-17(2)18-9-11-20(12-10-18)30-37(32,33)31-25-23(36-22-8-6-5-7-21(22)34-3)26(35-4)29-24(28-25)19-13-15-27-16-14-19/h5-17,30H,1-4H3,(H,28,29,31)
InChIKeyKILDPGDELQGRAZ-UHFFFAOYSA-N
MW521.60 g/mol
LogP5.24
Rot. Bonds10

About 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine

6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 10279669) has the molecular formula C26H27N5O5S and a molecular weight of 521.60 g/mol. Its IUPAC name is 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID10279669
Molecular FormulaC26H27N5O5S
Molecular Weight521.60 g/mol
Exact Mass521.17
IUPAC Name6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OC
InChIInChI=1S/C26H27N5O5S/c1-17(2)18-9-11-20(12-10-18)30-37(32,33)31-25-23(36-22-8-6-5-7-21(22)34-3)26(35-4)29-24(28-25)19-13-15-27-16-14-19/h5-17,30H,1-4H3,(H,28,29,31)
InChIKeyKILDPGDELQGRAZ-UHFFFAOYSA-N
XLogP5.24
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Analyze 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-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 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 10279669) is 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine is COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OC.
What is the InChIKey of 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is KILDPGDELQGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5S/c1-17(2)18-9-11-20(12-10-18)30-37(32,33)31-25-23(36-22-8-6-5-7-21(22)34-3)26(35-4)29-24(28-25)19-13-15-27-16-14-19/h5-17,30H,1-4H3,(H,28,29,31).
What are the key properties of 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 521.60 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 10279669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).