6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C13H17F3IN3O — CID 103150500

IUPAC6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CCCC2)c1I
InChIInChI=1S/C13H17F3IN3O/c14-13(15,16)7-21-6-5-9-19-11(8-3-1-2-4-8)10(17)12(18)20-9/h8H,1-7H2,(H2,18,19,20)
InChIKeyWRKUWAXKOBROHK-UHFFFAOYSA-N
MW415.20 g/mol
LogP3.44
Rot. Bonds5

About 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150500) has the molecular formula C13H17F3IN3O and a molecular weight of 415.20 g/mol. Its IUPAC name is 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150500
Molecular FormulaC13H17F3IN3O
Molecular Weight415.20 g/mol
Exact Mass415.04
IUPAC Name6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CCCC2)c1I
InChIInChI=1S/C13H17F3IN3O/c14-13(15,16)7-21-6-5-9-19-11(8-3-1-2-4-8)10(17)12(18)20-9/h8H,1-7H2,(H2,18,19,20)
InChIKeyWRKUWAXKOBROHK-UHFFFAOYSA-N
XLogP3.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-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-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150500) is 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is Nc1nc(CCOCC(F)(F)F)nc(C2CCCC2)c1I.
What is the InChIKey of 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is WRKUWAXKOBROHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3IN3O/c14-13(15,16)7-21-6-5-9-19-11(8-3-1-2-4-8)10(17)12(18)20-9/h8H,1-7H2,(H2,18,19,20).
What are the key properties of 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 415.20 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).