2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide

C7H7F3N4O — CID 107550865

IUPAC2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC(F)(F)F)n1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)3-15-6-13-2-1-4(14-6)5(11)12/h1-2H,3H2,(H3,11,12)
InChIKeyHMEJNKLTIQAZKQ-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.70
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide

2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide (PubChem CID 107550865) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide
PubChem CID107550865
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC(F)(F)F)n1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)3-15-6-13-2-1-4(14-6)5(11)12/h1-2H,3H2,(H3,11,12)
InChIKeyHMEJNKLTIQAZKQ-UHFFFAOYSA-N
XLogP0.70
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.70
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide (CID 107550865) is 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCC(F)(F)F)n1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide?
The InChIKey is HMEJNKLTIQAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)3-15-6-13-2-1-4(14-6)5(11)12/h1-2H,3H2,(H3,11,12).
What are the key properties of 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide?
2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide has a molecular weight of 220.15 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).