N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide

C17H24N6O3S — CID 109344268

IUPACN-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C17H24N6O3S/c1-23(2)10-9-20-17(24)15-11-16(22-12-21-15)19-8-7-13-3-5-14(6-4-13)27(18,25)26/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)(H2,18,25,26)(H,19,21,22)
InChIKeyWXCIKWQRKHJMAU-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.07
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109344268) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109344268
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C17H24N6O3S/c1-23(2)10-9-20-17(24)15-11-16(22-12-21-15)19-8-7-13-3-5-14(6-4-13)27(18,25)26/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)(H2,18,25,26)(H,19,21,22)
InChIKeyWXCIKWQRKHJMAU-UHFFFAOYSA-N
XLogP0.07
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290
N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109352286
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109344268) is N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is WXCIKWQRKHJMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-23(2)10-9-20-17(24)15-11-16(22-12-21-15)19-8-7-13-3-5-14(6-4-13)27(18,25)26/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)(H2,18,25,26)(H,19,21,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 0.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).