7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide

C14H18N4O2S — CID 83036292

IUPAC7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2sc3nccnc3c2N)CCO1
InChIInChI=1S/C14H18N4O2S/c1-14(2)7-8(3-6-20-14)18-12(19)11-9(15)10-13(21-11)17-5-4-16-10/h4-5,8H,3,6-7,15H2,1-2H3,(H,18,19)
InChIKeyIXWRVRPQFZLZAW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.96
Rot. Bonds2

About 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 83036292) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID83036292
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2sc3nccnc3c2N)CCO1
InChIInChI=1S/C14H18N4O2S/c1-14(2)7-8(3-6-20-14)18-12(19)11-9(15)10-13(21-11)17-5-4-16-10/h4-5,8H,3,6-7,15H2,1-2H3,(H,18,19)
InChIKeyIXWRVRPQFZLZAW-UHFFFAOYSA-N
XLogP1.96
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide (CID 83036292) is 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide is CC1(C)CC(NC(=O)c2sc3nccnc3c2N)CCO1.
What is the InChIKey of 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is IXWRVRPQFZLZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-14(2)7-8(3-6-20-14)18-12(19)11-9(15)10-13(21-11)17-5-4-16-10/h4-5,8H,3,6-7,15H2,1-2H3,(H,18,19).
What are the key properties of 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 83036292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).