2,5-difluoro-6-iodopyrimidin-4-amine

C4H2F2IN3 — CID 130154478

IUPAC2,5-difluoro-6-iodopyrimidin-4-amine
SMILESNc1nc(F)nc(I)c1F
InChIInChI=1S/C4H2F2IN3/c5-1-2(7)9-4(6)10-3(1)8/h(H2,8,9,10)
InChIKeyPGHDEMVEHBGOJZ-UHFFFAOYSA-N
MW256.98 g/mol
LogP0.94
Rot. Bonds

About 2,5-difluoro-6-iodopyrimidin-4-amine

2,5-difluoro-6-iodopyrimidin-4-amine (PubChem CID 130154478) has the molecular formula C4H2F2IN3 and a molecular weight of 256.98 g/mol. Its IUPAC name is 2,5-difluoro-6-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2,5-difluoro-6-iodopyrimidin-4-amine
PubChem CID130154478
Molecular FormulaC4H2F2IN3
Molecular Weight256.98 g/mol
Exact Mass256.93
IUPAC Name2,5-difluoro-6-iodopyrimidin-4-amine
SMILESNc1nc(F)nc(I)c1F
InChIInChI=1S/C4H2F2IN3/c5-1-2(7)9-4(6)10-3(1)8/h(H2,8,9,10)
InChIKeyPGHDEMVEHBGOJZ-UHFFFAOYSA-N
XLogP0.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.98
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-difluoro-6-iodopyrimidin-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 2,5-difluoro-6-iodopyrimidin-4-amine?
The IUPAC name of 2,5-difluoro-6-iodopyrimidin-4-amine (CID 130154478) is 2,5-difluoro-6-iodopyrimidin-4-amine.
What is the SMILES notation for 2,5-difluoro-6-iodopyrimidin-4-amine?
The canonical SMILES for 2,5-difluoro-6-iodopyrimidin-4-amine is Nc1nc(F)nc(I)c1F.
What is the InChIKey of 2,5-difluoro-6-iodopyrimidin-4-amine?
The InChIKey is PGHDEMVEHBGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2IN3/c5-1-2(7)9-4(6)10-3(1)8/h(H2,8,9,10).
What are the key properties of 2,5-difluoro-6-iodopyrimidin-4-amine?
2,5-difluoro-6-iodopyrimidin-4-amine has a molecular weight of 256.98 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-6-iodopyrimidin-4-amine is sourced from PubChem (CID 130154478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).