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

C17H23N5O4S — CID 109323530

IUPAC2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H23N5O4S/c1-12-11-15(22-17(21-12)20-9-10-26-2)16(23)19-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
InChIKeyCMNJRLHZYCIXMG-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.46
Rot. Bonds9

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

2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109323530) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109323530
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H23N5O4S/c1-12-11-15(22-17(21-12)20-9-10-26-2)16(23)19-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
InChIKeyCMNJRLHZYCIXMG-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

6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109319696
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323716
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109331667
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323407

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (CID 109323530) is 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is COCCNc1nc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is CMNJRLHZYCIXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-12-11-15(22-17(21-12)20-9-10-26-2)16(23)19-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H2,18,24,25)(H,20,21,22).
What are the key properties of 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
2-(2-methoxyethylamino)-6-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 2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109323530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).