2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine

C15H14ClFIN3 — CID 114454627

IUPAC2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cc(F)cc(Cl)c2)nc(C2CCCC2)c1I
InChIInChI=1S/C15H14ClFIN3/c16-10-5-9(6-11(17)7-10)15-20-13(8-3-1-2-4-8)12(18)14(19)21-15/h5-8H,1-4H2,(H2,19,20,21)
InChIKeyITUDVYSWEKWETE-UHFFFAOYSA-N
MW417.65 g/mol
LogP4.78
Rot. Bonds2

About 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine

2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine (PubChem CID 114454627) has the molecular formula C15H14ClFIN3 and a molecular weight of 417.65 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
PubChem CID114454627
Molecular FormulaC15H14ClFIN3
Molecular Weight417.65 g/mol
Exact Mass416.99
IUPAC Name2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cc(F)cc(Cl)c2)nc(C2CCCC2)c1I
InChIInChI=1S/C15H14ClFIN3/c16-10-5-9(6-11(17)7-10)15-20-13(8-3-1-2-4-8)12(18)14(19)21-15/h5-8H,1-4H2,(H2,19,20,21)
InChIKeyITUDVYSWEKWETE-UHFFFAOYSA-N
XLogP4.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.65
LogP ≤ 54.78
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 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine (CID 114454627) is 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine is Nc1nc(-c2cc(F)cc(Cl)c2)nc(C2CCCC2)c1I.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine?
The InChIKey is ITUDVYSWEKWETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFIN3/c16-10-5-9(6-11(17)7-10)15-20-13(8-3-1-2-4-8)12(18)14(19)21-15/h5-8H,1-4H2,(H2,19,20,21).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine?
2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine has a molecular weight of 417.65 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 114454627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).