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

C10H13F3IN3O — CID 103150416

IUPAC6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(CCOCC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3O/c1-2-6-8(14)9(15)17-7(16-6)3-4-18-5-10(11,12)13/h2-5H2,1H3,(H2,15,16,17)
InChIKeyWLGGKQYLBFEJDB-UHFFFAOYSA-N
MW375.13 g/mol
LogP2.35
Rot. Bonds5

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

6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150416) has the molecular formula C10H13F3IN3O and a molecular weight of 375.13 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150416
Molecular FormulaC10H13F3IN3O
Molecular Weight375.13 g/mol
Exact Mass375.01
IUPAC Name6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(CCOCC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3O/c1-2-6-8(14)9(15)17-7(16-6)3-4-18-5-10(11,12)13/h2-5H2,1H3,(H2,15,16,17)
InChIKeyWLGGKQYLBFEJDB-UHFFFAOYSA-N
XLogP2.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 52.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150416) is 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCc1nc(CCOCC(F)(F)F)nc(N)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is WLGGKQYLBFEJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3O/c1-2-6-8(14)9(15)17-7(16-6)3-4-18-5-10(11,12)13/h2-5H2,1H3,(H2,15,16,17).
What are the key properties of 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 375.13 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).