N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine

C19H21N5O5S — CID 10113587

IUPACN-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCNS(=O)(=O)Nc1nc(-c2ccncc2)nc(OC)c1Oc1ccccc1OC
InChIInChI=1S/C19H21N5O5S/c1-4-21-30(25,26)24-18-16(29-15-8-6-5-7-14(15)27-2)19(28-3)23-17(22-18)13-9-11-20-12-10-13/h5-12,21H,4H2,1-3H3,(H,22,23,24)
InChIKeyHDDDUFDGOVIDRW-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.61
Rot. Bonds9

About N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine

N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 10113587) has the molecular formula C19H21N5O5S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID10113587
Molecular FormulaC19H21N5O5S
Molecular Weight431.47 g/mol
Exact Mass431.13
IUPAC NameN-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCNS(=O)(=O)Nc1nc(-c2ccncc2)nc(OC)c1Oc1ccccc1OC
InChIInChI=1S/C19H21N5O5S/c1-4-21-30(25,26)24-18-16(29-15-8-6-5-7-14(15)27-2)19(28-3)23-17(22-18)13-9-11-20-12-10-13/h5-12,21H,4H2,1-3H3,(H,22,23,24)
InChIKeyHDDDUFDGOVIDRW-UHFFFAOYSA-N
XLogP2.61
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-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 N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine (CID 10113587) is N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine is CCNS(=O)(=O)Nc1nc(-c2ccncc2)nc(OC)c1Oc1ccccc1OC.
What is the InChIKey of N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is HDDDUFDGOVIDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5S/c1-4-21-30(25,26)24-18-16(29-15-8-6-5-7-14(15)27-2)19(28-3)23-17(22-18)13-9-11-20-12-10-13/h5-12,21H,4H2,1-3H3,(H,22,23,24).
What are the key properties of N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine?
N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 431.47 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 10113587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).