N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

C13H16N4OS — CID 24561607

IUPACN,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncnc2ccsc12
InChIInChI=1S/C13H16N4OS/c1-16(2)13(18)10-4-3-6-17(10)12-11-9(5-7-19-11)14-8-15-12/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyGNSKNQRWALXERO-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.75
Rot. Bonds2

About N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 24561607) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
PubChem CID24561607
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncnc2ccsc12
InChIInChI=1S/C13H16N4OS/c1-16(2)13(18)10-4-3-6-17(10)12-11-9(5-7-19-11)14-8-15-12/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyGNSKNQRWALXERO-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide (CID 24561607) is N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ncnc2ccsc12.
What is the InChIKey of N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is GNSKNQRWALXERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16(2)13(18)10-4-3-6-17(10)12-11-9(5-7-19-11)14-8-15-12/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide?
N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24561607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).