N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H20N4OS2 — CID 2032709

IUPACN-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1csc(-c2csc3ncnc(NCCCN4CCOCC4)c23)c1
InChIInChI=1S/C17H20N4OS2/c1-3-14(23-10-1)13-11-24-17-15(13)16(19-12-20-17)18-4-2-5-21-6-8-22-9-7-21/h1,3,10-12H,2,4-9H2,(H,18,19,20)
InChIKeyJWINMZUEEZZWTK-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.55
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2032709) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2032709
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1csc(-c2csc3ncnc(NCCCN4CCOCC4)c23)c1
InChIInChI=1S/C17H20N4OS2/c1-3-14(23-10-1)13-11-24-17-15(13)16(19-12-20-17)18-4-2-5-21-6-8-22-9-7-21/h1,3,10-12H,2,4-9H2,(H,18,19,20)
InChIKeyJWINMZUEEZZWTK-UHFFFAOYSA-N
XLogP3.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 2032709) is N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is c1csc(-c2csc3ncnc(NCCCN4CCOCC4)c23)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JWINMZUEEZZWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-3-14(23-10-1)13-11-24-17-15(13)16(19-12-20-17)18-4-2-5-21-6-8-22-9-7-21/h1,3,10-12H,2,4-9H2,(H,18,19,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 360.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2032709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).