5-fluoro-4-quinolin-7-ylpyrimidin-2-amine

C13H9FN4 — CID 81221984

IUPAC5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
SMILESNc1ncc(F)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C13H9FN4/c14-10-7-17-13(15)18-12(10)9-4-3-8-2-1-5-16-11(8)6-9/h1-7H,(H2,15,17,18)
InChIKeyATTFDCLGPGJULR-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.41
Rot. Bonds1

About 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine

5-fluoro-4-quinolin-7-ylpyrimidin-2-amine (PubChem CID 81221984) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
PubChem CID81221984
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
SMILESNc1ncc(F)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C13H9FN4/c14-10-7-17-13(15)18-12(10)9-4-3-8-2-1-5-16-11(8)6-9/h1-7H,(H2,15,17,18)
InChIKeyATTFDCLGPGJULR-UHFFFAOYSA-N
XLogP2.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine (CID 81221984) is 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine is Nc1ncc(F)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine?
The InChIKey is ATTFDCLGPGJULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-10-7-17-13(15)18-12(10)9-4-3-8-2-1-5-16-11(8)6-9/h1-7H,(H2,15,17,18).
What are the key properties of 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine?
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine has a molecular weight of 240.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-quinolin-7-ylpyrimidin-2-amine is sourced from PubChem (CID 81221984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).