7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide

C15H20N4OS — CID 79361178

IUPAC7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1(C)C(CNC(=O)c2sc3nccnc3c2N)C1(C)C
InChIInChI=1S/C15H20N4OS/c1-14(2)8(15(14,3)4)7-19-12(20)11-9(16)10-13(21-11)18-6-5-17-10/h5-6,8H,7,16H2,1-4H3,(H,19,20)
InChIKeyXGLHPYKPLKEUPW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.69
Rot. Bonds3

About 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 79361178) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID79361178
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1(C)C(CNC(=O)c2sc3nccnc3c2N)C1(C)C
InChIInChI=1S/C15H20N4OS/c1-14(2)8(15(14,3)4)7-19-12(20)11-9(16)10-13(21-11)18-6-5-17-10/h5-6,8H,7,16H2,1-4H3,(H,19,20)
InChIKeyXGLHPYKPLKEUPW-UHFFFAOYSA-N
XLogP2.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 79361178) is 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide is CC1(C)C(CNC(=O)c2sc3nccnc3c2N)C1(C)C.
What is the InChIKey of 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is XGLHPYKPLKEUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-14(2)8(15(14,3)4)7-19-12(20)11-9(16)10-13(21-11)18-6-5-17-10/h5-6,8H,7,16H2,1-4H3,(H,19,20).
What are the key properties of 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 79361178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).