6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

C17H23N5O4S — CID 109364662

IUPAC6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C17H23N5O4S/c1-12-21-15(11-16(22-12)19-9-10-26-2)17(23)20-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,11H,7-10H2,1-2H3,(H,20,23)(H2,18,24,25)(H,19,21,22)
InChIKeyZRABMYSEBNQERV-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.46
Rot. Bonds9

About 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109364662) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109364662
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C17H23N5O4S/c1-12-21-15(11-16(22-12)19-9-10-26-2)17(23)20-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,11H,7-10H2,1-2H3,(H,20,23)(H2,18,24,25)(H,19,21,22)
InChIKeyZRABMYSEBNQERV-UHFFFAOYSA-N
XLogP0.46
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109323530
N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109362549
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
CID 109166763
2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 109167185
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371210

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (CID 109364662) is 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is COCCNc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc(C)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is ZRABMYSEBNQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-12-21-15(11-16(22-12)19-9-10-26-2)17(23)20-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,11H,7-10H2,1-2H3,(H,20,23)(H2,18,24,25)(H,19,21,22).
What are the key properties of 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109364662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).