6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine

C13H11FIN3 — CID 66302764

IUPAC6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc(C2CC2)c1I
InChIInChI=1S/C13H11FIN3/c14-9-5-3-8(4-6-9)13-17-11(7-1-2-7)10(15)12(16)18-13/h3-7H,1-2H2,(H2,16,17,18)
InChIKeyKRHRXRZRISVYRL-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.35
Rot. Bonds2

About 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66302764) has the molecular formula C13H11FIN3 and a molecular weight of 355.15 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66302764
Molecular FormulaC13H11FIN3
Molecular Weight355.15 g/mol
Exact Mass355.00
IUPAC Name6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc(C2CC2)c1I
InChIInChI=1S/C13H11FIN3/c14-9-5-3-8(4-6-9)13-17-11(7-1-2-7)10(15)12(16)18-13/h3-7H,1-2H2,(H2,16,17,18)
InChIKeyKRHRXRZRISVYRL-UHFFFAOYSA-N
XLogP3.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine (CID 66302764) is 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine is Nc1nc(-c2ccc(F)cc2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is KRHRXRZRISVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN3/c14-9-5-3-8(4-6-9)13-17-11(7-1-2-7)10(15)12(16)18-13/h3-7H,1-2H2,(H2,16,17,18).
What are the key properties of 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 355.15 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66302764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).