5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine

C17H11FN4OS — CID 23020465

IUPAC5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccco2)c(-c2ccnc(F)c2)c(-c2cccs2)n1
InChIInChI=1S/C17H11FN4OS/c18-13-9-10(5-6-20-13)14-15(11-3-1-7-23-11)21-17(19)22-16(14)12-4-2-8-24-12/h1-9H,(H2,19,21,22)
InChIKeyGBEDQNBURCBZRF-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.25
Rot. Bonds3

About 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine

5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 23020465) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID23020465
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccco2)c(-c2ccnc(F)c2)c(-c2cccs2)n1
InChIInChI=1S/C17H11FN4OS/c18-13-9-10(5-6-20-13)14-15(11-3-1-7-23-11)21-17(19)22-16(14)12-4-2-8-24-12/h1-9H,(H2,19,21,22)
InChIKeyGBEDQNBURCBZRF-UHFFFAOYSA-N
XLogP4.25
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine (CID 23020465) is 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine is Nc1nc(-c2ccco2)c(-c2ccnc(F)c2)c(-c2cccs2)n1.
What is the InChIKey of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is GBEDQNBURCBZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS/c18-13-9-10(5-6-20-13)14-15(11-3-1-7-23-11)21-17(19)22-16(14)12-4-2-8-24-12/h1-9H,(H2,19,21,22).
What are the key properties of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine?
5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 338.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 23020465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).