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

C14H21N3O2S — CID 62563677

IUPAC3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)OCCCNCCn1cnc2sccc2c1=O
InChIInChI=1S/C14H21N3O2S/c1-11(2)19-8-3-5-15-6-7-17-10-16-13-12(14(17)18)4-9-20-13/h4,9-11,15H,3,5-8H2,1-2H3
InChIKeyIECIYNGUIQOVEO-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.86
Rot. Bonds8

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

3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 62563677) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID62563677
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)OCCCNCCn1cnc2sccc2c1=O
InChIInChI=1S/C14H21N3O2S/c1-11(2)19-8-3-5-15-6-7-17-10-16-13-12(14(17)18)4-9-20-13/h4,9-11,15H,3,5-8H2,1-2H3
InChIKeyIECIYNGUIQOVEO-UHFFFAOYSA-N
XLogP1.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.86
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-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one (CID 62563677) is 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one is CC(C)OCCCNCCn1cnc2sccc2c1=O.
What is the InChIKey of 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IECIYNGUIQOVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11(2)19-8-3-5-15-6-7-17-10-16-13-12(14(17)18)4-9-20-13/h4,9-11,15H,3,5-8H2,1-2H3.
What are the key properties of 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one?
3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 295.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-propan-2-yloxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 62563677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).