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

C18H25N5O3S — CID 109331655

IUPAC2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H25N5O3S/c1-4-23(5-2)18-21-13(3)12-16(22-18)17(24)20-11-10-14-6-8-15(9-7-14)27(19,25)26/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,24)(H2,19,25,26)
InChIKeySVZHVSORRHWYMH-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.25
Rot. Bonds8

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

2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109331655) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109331655
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H25N5O3S/c1-4-23(5-2)18-21-13(3)12-16(22-18)17(24)20-11-10-14-6-8-15(9-7-14)27(19,25)26/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,24)(H2,19,25,26)
InChIKeySVZHVSORRHWYMH-UHFFFAOYSA-N
XLogP1.25
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyrimidine-4-carboxamide
CID 56731093
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109319696
2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109323530
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331713
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furo[3,2-b]pyridine-2-carboxamide
CID 16907015
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (CID 109331655) is 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is CCN(CC)c1nc(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is SVZHVSORRHWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-4-23(5-2)18-21-13(3)12-16(22-18)17(24)20-11-10-14-6-8-15(9-7-14)27(19,25)26/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,24)(H2,19,25,26).
What are the key properties of 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109331655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).