2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide

C8H8F4N4O — CID 107550985

IUPAC2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H8F4N4O/c9-6(10)8(11,12)3-17-7-15-2-1-4(16-7)5(13)14/h1-2,6H,3H2,(H3,13,14)
InChIKeyJSVWBSXYUIWGQG-UHFFFAOYSA-N
MW252.17 g/mol
LogP1.04
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide

2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide (PubChem CID 107550985) has the molecular formula C8H8F4N4O and a molecular weight of 252.17 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide
PubChem CID107550985
Molecular FormulaC8H8F4N4O
Molecular Weight252.17 g/mol
Exact Mass252.06
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H8F4N4O/c9-6(10)8(11,12)3-17-7-15-2-1-4(16-7)5(13)14/h1-2,6H,3H2,(H3,13,14)
InChIKeyJSVWBSXYUIWGQG-UHFFFAOYSA-N
XLogP1.04
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide (CID 107550985) is 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide?
The InChIKey is JSVWBSXYUIWGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N4O/c9-6(10)8(11,12)3-17-7-15-2-1-4(16-7)5(13)14/h1-2,6H,3H2,(H3,13,14).
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide?
2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide has a molecular weight of 252.17 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).