1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C13H15ClN4OS — CID 106321009

IUPAC1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C13H15ClN4OS/c1-13(11(19)15-2)4-5-18(7-13)9-8-3-6-20-10(8)17-12(14)16-9/h3,6H,4-5,7H2,1-2H3,(H,15,19)
InChIKeyGKEIJYRZEGLDGG-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.31
Rot. Bonds2

About 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321009) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321009
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C13H15ClN4OS/c1-13(11(19)15-2)4-5-18(7-13)9-8-3-6-20-10(8)17-12(14)16-9/h3,6H,4-5,7H2,1-2H3,(H,15,19)
InChIKeyGKEIJYRZEGLDGG-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321009) is 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(Cl)nc3sccc23)C1.
What is the InChIKey of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GKEIJYRZEGLDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-13(11(19)15-2)4-5-18(7-13)9-8-3-6-20-10(8)17-12(14)16-9/h3,6H,4-5,7H2,1-2H3,(H,15,19).
What are the key properties of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).