6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione

C7H7F4N3O2 — CID 106293470

IUPAC6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CC(F)(F)C(F)F
InChIInChI=1S/C7H7F4N3O2/c8-5(9)7(10,11)2-14-3(12)1-4(15)13-6(14)16/h1,5H,2,12H2,(H,13,15,16)
InChIKeyWVJWMYNIHYIKES-UHFFFAOYSA-N
MW241.14 g/mol
LogP0.02
Rot. Bonds3

About 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione

6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (PubChem CID 106293470) has the molecular formula C7H7F4N3O2 and a molecular weight of 241.14 g/mol. Its IUPAC name is 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
PubChem CID106293470
Molecular FormulaC7H7F4N3O2
Molecular Weight241.14 g/mol
Exact Mass241.05
IUPAC Name6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CC(F)(F)C(F)F
InChIInChI=1S/C7H7F4N3O2/c8-5(9)7(10,11)2-14-3(12)1-4(15)13-6(14)16/h1,5H,2,12H2,(H,13,15,16)
InChIKeyWVJWMYNIHYIKES-UHFFFAOYSA-N
XLogP0.02
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 50.02
H-Bond Donors ≤ 52
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 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (CID 106293470) is 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1CC(F)(F)C(F)F.
What is the InChIKey of 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The InChIKey is WVJWMYNIHYIKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O2/c8-5(9)7(10,11)2-14-3(12)1-4(15)13-6(14)16/h1,5H,2,12H2,(H,13,15,16).
What are the key properties of 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione has a molecular weight of 241.14 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106293470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).