N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide

C17H16N8O4S — CID 156817214

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3cnc(N)nc3)cnc2N)cc1
InChIInChI=1S/C17H16N8O4S/c1-9(26)25-30(28,29)12-4-2-11(3-5-12)23-16(27)14-15(18)20-8-13(24-14)10-6-21-17(19)22-7-10/h2-8H,1H3,(H2,18,20)(H,23,27)(H,25,26)(H2,19,21,22)
InChIKeyIRJBNWFQDUUPBI-UHFFFAOYSA-N
MW428.43 g/mol
LogP0.18
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide (PubChem CID 156817214) has the molecular formula C17H16N8O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide
PubChem CID156817214
Molecular FormulaC17H16N8O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3cnc(N)nc3)cnc2N)cc1
InChIInChI=1S/C17H16N8O4S/c1-9(26)25-30(28,29)12-4-2-11(3-5-12)23-16(27)14-15(18)20-8-13(24-14)10-6-21-17(19)22-7-10/h2-8H,1H3,(H2,18,20)(H,23,27)(H,25,26)(H2,19,21,22)
InChIKeyIRJBNWFQDUUPBI-UHFFFAOYSA-N
XLogP0.18
TPSA195.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide (CID 156817214) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3cnc(N)nc3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide?
The InChIKey is IRJBNWFQDUUPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O4S/c1-9(26)25-30(28,29)12-4-2-11(3-5-12)23-16(27)14-15(18)20-8-13(24-14)10-6-21-17(19)22-7-10/h2-8H,1H3,(H2,18,20)(H,23,27)(H,25,26)(H2,19,21,22).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(2-aminopyrimidin-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 156817214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).