N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide

C15H21N5OS — CID 133404333

IUPACN-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2nc(CC)nc3sccc23)C1
InChIInChI=1S/C15H21N5OS/c1-3-12-18-13(11-6-8-22-14(11)19-12)17-10-5-7-20(9-10)15(21)16-4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyWMNLOSQATYXBLY-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide

N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide (PubChem CID 133404333) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
PubChem CID133404333
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2nc(CC)nc3sccc23)C1
InChIInChI=1S/C15H21N5OS/c1-3-12-18-13(11-6-8-22-14(11)19-12)17-10-5-7-20(9-10)15(21)16-4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyWMNLOSQATYXBLY-UHFFFAOYSA-N
XLogP2.47
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide (CID 133404333) is N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(Nc2nc(CC)nc3sccc23)C1.
What is the InChIKey of N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide?
The InChIKey is WMNLOSQATYXBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-3-12-18-13(11-6-8-22-14(11)19-12)17-10-5-7-20(9-10)15(21)16-4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide?
N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 133404333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).