4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine

C13H11F4N3O — CID 756066

IUPAC4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESNc1nc(OCC(F)(F)C(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C13H11F4N3O/c14-11(15)13(16,17)7-21-10-6-9(19-12(18)20-10)8-4-2-1-3-5-8/h1-6,11H,7H2,(H2,18,19,20)
InChIKeyUDMRDWKLZAIIFO-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.01
Rot. Bonds5

About 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine

4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (PubChem CID 756066) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
PubChem CID756066
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESNc1nc(OCC(F)(F)C(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C13H11F4N3O/c14-11(15)13(16,17)7-21-10-6-9(19-12(18)20-10)8-4-2-1-3-5-8/h1-6,11H,7H2,(H2,18,19,20)
InChIKeyUDMRDWKLZAIIFO-UHFFFAOYSA-N
XLogP3.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The IUPAC name of 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (CID 756066) is 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is Nc1nc(OCC(F)(F)C(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The InChIKey is UDMRDWKLZAIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c14-11(15)13(16,17)7-21-10-6-9(19-12(18)20-10)8-4-2-1-3-5-8/h1-6,11H,7H2,(H2,18,19,20).
What are the key properties of 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine has a molecular weight of 301.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is sourced from PubChem (CID 756066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).