5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

C7H6F5N3 — CID 106293605

IUPAC5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESFc1cnc(NCC(F)(F)C(F)F)nc1
InChIInChI=1S/C7H6F5N3/c8-4-1-13-6(14-2-4)15-3-7(11,12)5(9)10/h1-2,5H,3H2,(H,13,14,15)
InChIKeyUGEZQKVOTSBKRD-UHFFFAOYSA-N
MW227.14 g/mol
LogP1.93
Rot. Bonds4

About 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (PubChem CID 106293605) has the molecular formula C7H6F5N3 and a molecular weight of 227.14 g/mol. Its IUPAC name is 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
PubChem CID106293605
Molecular FormulaC7H6F5N3
Molecular Weight227.14 g/mol
Exact Mass227.05
IUPAC Name5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESFc1cnc(NCC(F)(F)C(F)F)nc1
InChIInChI=1S/C7H6F5N3/c8-4-1-13-6(14-2-4)15-3-7(11,12)5(9)10/h1-2,5H,3H2,(H,13,14,15)
InChIKeyUGEZQKVOTSBKRD-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (CID 106293605) is 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is Fc1cnc(NCC(F)(F)C(F)F)nc1.
What is the InChIKey of 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The InChIKey is UGEZQKVOTSBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5N3/c8-4-1-13-6(14-2-4)15-3-7(11,12)5(9)10/h1-2,5H,3H2,(H,13,14,15).
What are the key properties of 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine has a molecular weight of 227.14 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 106293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).