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

C19H18ClN5O4S — CID 21041354

IUPAC6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C19H18ClN5O4S/c1-28-14-4-2-3-5-15(14)29-16-17(20)22-18(12-8-10-21-11-9-12)23-19(16)25-30(26,27)24-13-6-7-13/h2-5,8-11,13,24H,6-7H2,1H3,(H,22,23,25)
InChIKeyZNWBLBPASOQOPJ-UHFFFAOYSA-N
MW447.90 g/mol
LogP3.40
Rot. Bonds8

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

6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 21041354) has the molecular formula C19H18ClN5O4S and a molecular weight of 447.90 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID21041354
Molecular FormulaC19H18ClN5O4S
Molecular Weight447.90 g/mol
Exact Mass447.08
IUPAC Name6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C19H18ClN5O4S/c1-28-14-4-2-3-5-15(14)29-16-17(20)22-18(12-8-10-21-11-9-12)23-19(16)25-30(26,27)24-13-6-7-13/h2-5,8-11,13,24H,6-7H2,1H3,(H,22,23,25)
InChIKeyZNWBLBPASOQOPJ-UHFFFAOYSA-N
XLogP3.40
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine (CID 21041354) is 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine is COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NC1CC1.
What is the InChIKey of 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is ZNWBLBPASOQOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S/c1-28-14-4-2-3-5-15(14)29-16-17(20)22-18(12-8-10-21-11-9-12)23-19(16)25-30(26,27)24-13-6-7-13/h2-5,8-11,13,24H,6-7H2,1H3,(H,22,23,25).
What are the key properties of 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 447.90 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 21041354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).