2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline

C18H13F2N5O — CID 122506548

IUPAC2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline
SMILESNc1cc(-c2cnc3nc(COc4ccc(F)cn4)cn3c2)ccc1F
InChIInChI=1S/C18H13F2N5O/c19-13-2-4-17(22-7-13)26-10-14-9-25-8-12(6-23-18(25)24-14)11-1-3-15(20)16(21)5-11/h1-9H,10,21H2
InChIKeyAHSSCYXYFYDNIP-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.23
Rot. Bonds4

About 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline

2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline (PubChem CID 122506548) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline
PubChem CID122506548
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline
SMILESNc1cc(-c2cnc3nc(COc4ccc(F)cn4)cn3c2)ccc1F
InChIInChI=1S/C18H13F2N5O/c19-13-2-4-17(22-7-13)26-10-14-9-25-8-12(6-23-18(25)24-14)11-1-3-15(20)16(21)5-11/h1-9H,10,21H2
InChIKeyAHSSCYXYFYDNIP-UHFFFAOYSA-N
XLogP3.23
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline?
The IUPAC name of 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline (CID 122506548) is 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline?
The canonical SMILES for 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline is Nc1cc(-c2cnc3nc(COc4ccc(F)cn4)cn3c2)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline?
The InChIKey is AHSSCYXYFYDNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-13-2-4-17(22-7-13)26-10-14-9-25-8-12(6-23-18(25)24-14)11-1-3-15(20)16(21)5-11/h1-9H,10,21H2.
What are the key properties of 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline?
2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline has a molecular weight of 353.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]aniline is sourced from PubChem (CID 122506548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).