2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one

C20H26N4O2S — CID 118719999

IUPAC2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(C#CCN3CCOCC3)csc2c1=O
InChIInChI=1S/C20H26N4O2S/c1-2-24-19(25)18-17(22-20(24)21-16-7-3-4-8-16)15(14-27-18)6-5-9-23-10-12-26-13-11-23/h14,16H,2-4,7-13H2,1H3,(H,21,22)
InChIKeyHVXLYTLVGVKSCK-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.52
Rot. Bonds4

About 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118719999) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID118719999
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(C#CCN3CCOCC3)csc2c1=O
InChIInChI=1S/C20H26N4O2S/c1-2-24-19(25)18-17(22-20(24)21-16-7-3-4-8-16)15(14-27-18)6-5-9-23-10-12-26-13-11-23/h14,16H,2-4,7-13H2,1H3,(H,21,22)
InChIKeyHVXLYTLVGVKSCK-UHFFFAOYSA-N
XLogP2.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one (CID 118719999) is 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCC2)nc2c(C#CCN3CCOCC3)csc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HVXLYTLVGVKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-2-24-19(25)18-17(22-20(24)21-16-7-3-4-8-16)15(14-27-18)6-5-9-23-10-12-26-13-11-23/h14,16H,2-4,7-13H2,1H3,(H,21,22).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 386.52 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).