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

C25H24ClN5O4S — CID 10279868

IUPAC6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H24ClN5O4S/c1-16(2)17-8-10-19(11-9-17)30-36(32,33)31-25-22(35-21-7-5-4-6-20(21)34-3)23(26)28-24(29-25)18-12-14-27-15-13-18/h4-16,30H,1-3H3,(H,28,29,31)
InChIKeyAWVDRDIUQSUKAI-UHFFFAOYSA-N
MW526.02 g/mol
LogP5.89
Rot. Bonds9

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

6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 10279868) has the molecular formula C25H24ClN5O4S and a molecular weight of 526.02 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID10279868
Molecular FormulaC25H24ClN5O4S
Molecular Weight526.02 g/mol
Exact Mass525.12
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H24ClN5O4S/c1-16(2)17-8-10-19(11-9-17)30-36(32,33)31-25-22(35-21-7-5-4-6-20(21)34-3)23(26)28-24(29-25)18-12-14-27-15-13-18/h4-16,30H,1-3H3,(H,28,29,31)
InChIKeyAWVDRDIUQSUKAI-UHFFFAOYSA-N
XLogP5.89
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.02
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 10279868) is 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine is COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is AWVDRDIUQSUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4S/c1-16(2)17-8-10-19(11-9-17)30-36(32,33)31-25-22(35-21-7-5-4-6-20(21)34-3)23(26)28-24(29-25)18-12-14-27-15-13-18/h4-16,30H,1-3H3,(H,28,29,31).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 526.02 g/mol, XLogP of 5.89, 9 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-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 10279868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).