3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one

C13H19N3O2S — CID 62563166

IUPAC3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCOCCCNCCn1cnc2sccc2c1=O
InChIInChI=1S/C13H19N3O2S/c1-2-18-8-3-5-14-6-7-16-10-15-12-11(13(16)17)4-9-19-12/h4,9-10,14H,2-3,5-8H2,1H3
InChIKeySSPNBDGJLRMPCH-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.47
Rot. Bonds8

About 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 62563166) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID62563166
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCOCCCNCCn1cnc2sccc2c1=O
InChIInChI=1S/C13H19N3O2S/c1-2-18-8-3-5-14-6-7-16-10-15-12-11(13(16)17)4-9-19-12/h4,9-10,14H,2-3,5-8H2,1H3
InChIKeySSPNBDGJLRMPCH-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one (CID 62563166) is 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one is CCOCCCNCCn1cnc2sccc2c1=O.
What is the InChIKey of 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SSPNBDGJLRMPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-18-8-3-5-14-6-7-16-10-15-12-11(13(16)17)4-9-19-12/h4,9-10,14H,2-3,5-8H2,1H3.
What are the key properties of 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 281.38 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 62563166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).