4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine

C16H15N5OS — CID 59732306

IUPAC4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1coc(-c2nc(NCCCn3ccnc3)nc3ccsc23)c1
InChIInChI=1S/C16H15N5OS/c1-3-13(22-9-1)14-15-12(4-10-23-15)19-16(20-14)18-5-2-7-21-8-6-17-11-21/h1,3-4,6,8-11H,2,5,7H2,(H,18,19,20)
InChIKeyJAOFHOKDRFSQCA-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.65
Rot. Bonds6

About 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine

4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 59732306) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID59732306
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
SMILESc1coc(-c2nc(NCCCn3ccnc3)nc3ccsc23)c1
InChIInChI=1S/C16H15N5OS/c1-3-13(22-9-1)14-15-12(4-10-23-15)19-16(20-14)18-5-2-7-21-8-6-17-11-21/h1,3-4,6,8-11H,2,5,7H2,(H,18,19,20)
InChIKeyJAOFHOKDRFSQCA-UHFFFAOYSA-N
XLogP3.65
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.65
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 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine (CID 59732306) is 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine is c1coc(-c2nc(NCCCn3ccnc3)nc3ccsc23)c1.
What is the InChIKey of 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is JAOFHOKDRFSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-3-13(22-9-1)14-15-12(4-10-23-15)19-16(20-14)18-5-2-7-21-8-6-17-11-21/h1,3-4,6,8-11H,2,5,7H2,(H,18,19,20).
What are the key properties of 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine?
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 325.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 59732306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).