4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one

C13H17N5OS — CID 106198274

IUPAC4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCNc1nc(NC2CNC(=O)C2)c2ccsc2n1
InChIInChI=1S/C13H17N5OS/c1-2-4-14-13-17-11(9-3-5-20-12(9)18-13)16-8-6-10(19)15-7-8/h3,5,8H,2,4,6-7H2,1H3,(H,15,19)(H2,14,16,17,18)
InChIKeyUDYVOGXRYFEGQC-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.81
Rot. Bonds5

About 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one

4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 106198274) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID106198274
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCNc1nc(NC2CNC(=O)C2)c2ccsc2n1
InChIInChI=1S/C13H17N5OS/c1-2-4-14-13-17-11(9-3-5-20-12(9)18-13)16-8-6-10(19)15-7-8/h3,5,8H,2,4,6-7H2,1H3,(H,15,19)(H2,14,16,17,18)
InChIKeyUDYVOGXRYFEGQC-UHFFFAOYSA-N
XLogP1.81
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 106198274) is 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one is CCCNc1nc(NC2CNC(=O)C2)c2ccsc2n1.
What is the InChIKey of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is UDYVOGXRYFEGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-2-4-14-13-17-11(9-3-5-20-12(9)18-13)16-8-6-10(19)15-7-8/h3,5,8H,2,4,6-7H2,1H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one?
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 291.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106198274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).