6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine

C7H8F4N4O — CID 57003761

IUPAC6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine
SMILESNc1cc(OCC(F)(F)C(F)F)nc(N)n1
InChIInChI=1S/C7H8F4N4O/c8-5(9)7(10,11)2-16-4-1-3(12)14-6(13)15-4/h1,5H,2H2,(H4,12,13,14,15)
InChIKeyFXQNJYYLIRNVEZ-UHFFFAOYSA-N
MW240.16 g/mol
LogP0.92
Rot. Bonds4

About 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine

6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine (PubChem CID 57003761) has the molecular formula C7H8F4N4O and a molecular weight of 240.16 g/mol. Its IUPAC name is 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine
PubChem CID57003761
Molecular FormulaC7H8F4N4O
Molecular Weight240.16 g/mol
Exact Mass240.06
IUPAC Name6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine
SMILESNc1cc(OCC(F)(F)C(F)F)nc(N)n1
InChIInChI=1S/C7H8F4N4O/c8-5(9)7(10,11)2-16-4-1-3(12)14-6(13)15-4/h1,5H,2H2,(H4,12,13,14,15)
InChIKeyFXQNJYYLIRNVEZ-UHFFFAOYSA-N
XLogP0.92
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine (CID 57003761) is 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine is Nc1cc(OCC(F)(F)C(F)F)nc(N)n1.
What is the InChIKey of 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine?
The InChIKey is FXQNJYYLIRNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O/c8-5(9)7(10,11)2-16-4-1-3(12)14-6(13)15-4/h1,5H,2H2,(H4,12,13,14,15).
What are the key properties of 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine?
6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine has a molecular weight of 240.16 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3-tetrafluoropropoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 57003761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).