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

C18H25N5O3S — CID 109362549

IUPACN-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C18H25N5O3S/c1-4-12(2)21-18(24)16-11-17(23-13(3)22-16)20-10-9-14-5-7-15(8-6-14)27(19,25)26/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H2,19,25,26)(H,20,22,23)
InChIKeyCQQVDUDSCCVGOI-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.62
Rot. Bonds8

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

N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109362549) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109362549
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C18H25N5O3S/c1-4-12(2)21-18(24)16-11-17(23-13(3)22-16)20-10-9-14-5-7-15(8-6-14)27(19,25)26/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H2,19,25,26)(H,20,22,23)
InChIKeyCQQVDUDSCCVGOI-UHFFFAOYSA-N
XLogP1.62
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109362538
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340810
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 91793394
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580
N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371487
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109362549) is N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(C)n1.
What is the InChIKey of N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is CQQVDUDSCCVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-4-12(2)21-18(24)16-11-17(23-13(3)22-16)20-10-9-14-5-7-15(8-6-14)27(19,25)26/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H2,19,25,26)(H,20,22,23).
What are the key properties of N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109362549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).