N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide

C18H25N5O3S — CID 109352286

IUPACN-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C18H25N5O3S/c1-3-4-11-23(2)18(24)16-12-17(22-13-21-16)20-10-9-14-5-7-15(8-6-14)27(19,25)26/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,19,25,26)(H,20,21,22)
InChIKeyMQJIKGZXXWLWCU-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.65
Rot. Bonds9

About N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide

N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109352286) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109352286
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C18H25N5O3S/c1-3-4-11-23(2)18(24)16-12-17(22-13-21-16)20-10-9-14-5-7-15(8-6-14)27(19,25)26/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,19,25,26)(H,20,21,22)
InChIKeyMQJIKGZXXWLWCU-UHFFFAOYSA-N
XLogP1.65
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109344268
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
N-butyl-6-[2-(4-fluorophenyl)ethylamino]-N,2-dimethylpyrimidine-4-carboxamide
CID 109371892
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109352286) is N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1.
What is the InChIKey of N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is MQJIKGZXXWLWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-4-11-23(2)18(24)16-12-17(22-13-21-16)20-10-9-14-5-7-15(8-6-14)27(19,25)26/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,19,25,26)(H,20,21,22).
What are the key properties of N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).