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

C21H18ClN7O4S — CID 21041333

IUPAC6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C21H18ClN7O4S/c1-32-15-8-2-3-9-16(15)33-17-18(22)27-21(20-24-11-6-12-25-20)28-19(17)29-34(30,31)26-13-14-7-4-5-10-23-14/h2-12,26H,13H2,1H3,(H,27,28,29)
InChIKeySLXSPJJZVSBIFI-UHFFFAOYSA-N
MW499.94 g/mol
LogP3.23
Rot. Bonds9

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

6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 21041333) has the molecular formula C21H18ClN7O4S and a molecular weight of 499.94 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID21041333
Molecular FormulaC21H18ClN7O4S
Molecular Weight499.94 g/mol
Exact Mass499.08
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C21H18ClN7O4S/c1-32-15-8-2-3-9-16(15)33-17-18(22)27-21(20-24-11-6-12-25-20)28-19(17)29-34(30,31)26-13-14-7-4-5-10-23-14/h2-12,26H,13H2,1H3,(H,27,28,29)
InChIKeySLXSPJJZVSBIFI-UHFFFAOYSA-N
XLogP3.23
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.94
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine (CID 21041333) is 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine is COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccccn1.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is SLXSPJJZVSBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O4S/c1-32-15-8-2-3-9-16(15)33-17-18(22)27-21(20-24-11-6-12-25-20)28-19(17)29-34(30,31)26-13-14-7-4-5-10-23-14/h2-12,26H,13H2,1H3,(H,27,28,29).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 499.94 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 21041333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).