6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine

C9H12FIN4O — CID 146268384

IUPAC6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine
SMILESNc1cc(F)nc(OC2CCN(CI)C2)n1
InChIInChI=1S/C9H12FIN4O/c10-7-3-8(12)14-9(13-7)16-6-1-2-15(4-6)5-11/h3,6H,1-2,4-5H2,(H2,12,13,14)
InChIKeyDOUUXIJWDCPJRR-UHFFFAOYSA-N
MW338.12 g/mol
LogP1.04
Rot. Bonds3

About 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine

6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine (PubChem CID 146268384) has the molecular formula C9H12FIN4O and a molecular weight of 338.12 g/mol. Its IUPAC name is 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine
PubChem CID146268384
Molecular FormulaC9H12FIN4O
Molecular Weight338.12 g/mol
Exact Mass338.00
IUPAC Name6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine
SMILESNc1cc(F)nc(OC2CCN(CI)C2)n1
InChIInChI=1S/C9H12FIN4O/c10-7-3-8(12)14-9(13-7)16-6-1-2-15(4-6)5-11/h3,6H,1-2,4-5H2,(H2,12,13,14)
InChIKeyDOUUXIJWDCPJRR-UHFFFAOYSA-N
XLogP1.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine 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 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine?
The IUPAC name of 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine (CID 146268384) is 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine?
The canonical SMILES for 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine is Nc1cc(F)nc(OC2CCN(CI)C2)n1.
What is the InChIKey of 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine?
The InChIKey is DOUUXIJWDCPJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN4O/c10-7-3-8(12)14-9(13-7)16-6-1-2-15(4-6)5-11/h3,6H,1-2,4-5H2,(H2,12,13,14).
What are the key properties of 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine?
6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine has a molecular weight of 338.12 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(iodomethyl)pyrrolidin-3-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 146268384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).