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

C20H20ClN5O4S — CID 21041351

IUPAC6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CC1
InChIInChI=1S/C20H20ClN5O4S/c1-29-15-4-2-3-5-16(15)30-17-18(21)24-19(14-8-10-22-11-9-14)25-20(17)26-31(27,28)23-12-13-6-7-13/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,25,26)
InChIKeyIPHFSQAEUWYESK-UHFFFAOYSA-N
MW461.93 g/mol
LogP3.65
Rot. Bonds9

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

6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 21041351) has the molecular formula C20H20ClN5O4S and a molecular weight of 461.93 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID21041351
Molecular FormulaC20H20ClN5O4S
Molecular Weight461.93 g/mol
Exact Mass461.09
IUPAC Name6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CC1
InChIInChI=1S/C20H20ClN5O4S/c1-29-15-4-2-3-5-16(15)30-17-18(21)24-19(14-8-10-22-11-9-14)25-20(17)26-31(27,28)23-12-13-6-7-13/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,25,26)
InChIKeyIPHFSQAEUWYESK-UHFFFAOYSA-N
XLogP3.65
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine (CID 21041351) is 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine is COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CC1.
What is the InChIKey of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is IPHFSQAEUWYESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4S/c1-29-15-4-2-3-5-16(15)30-17-18(21)24-19(14-8-10-22-11-9-14)25-20(17)26-31(27,28)23-12-13-6-7-13/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,25,26).
What are the key properties of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 461.93 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 21041351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).