N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide

C17H18N6OS — CID 110100786

IUPACN,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1C1CCN(c2ccncn2)C1
InChIInChI=1S/C17H18N6OS/c1-22(2)17(24)15-13(14-16(25-15)20-7-6-19-14)11-4-8-23(9-11)12-3-5-18-10-21-12/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyDUWFKHNSAIGWOT-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.18
Rot. Bonds3

About N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide

N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 110100786) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID110100786
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1C1CCN(c2ccncn2)C1
InChIInChI=1S/C17H18N6OS/c1-22(2)17(24)15-13(14-16(25-15)20-7-6-19-14)11-4-8-23(9-11)12-3-5-18-10-21-12/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyDUWFKHNSAIGWOT-UHFFFAOYSA-N
XLogP2.18
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide (CID 110100786) is N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide is CN(C)C(=O)c1sc2nccnc2c1C1CCN(c2ccncn2)C1.
What is the InChIKey of N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is DUWFKHNSAIGWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-22(2)17(24)15-13(14-16(25-15)20-7-6-19-14)11-4-8-23(9-11)12-3-5-18-10-21-12/h3,5-7,10-11H,4,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 110100786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).