2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one

C10H10F4N2O2 — CID 103240401

IUPAC2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-18-7-3-6(17)15-8(16-7)5-1-2-5/h3,5,9H,1-2,4H2,(H,15,16,17)
InChIKeyKVBAZDWBTJUSMZ-UHFFFAOYSA-N
MW266.19 g/mol
LogP1.93
Rot. Bonds5

About 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (PubChem CID 103240401) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
PubChem CID103240401
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)C(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-18-7-3-6(17)15-8(16-7)5-1-2-5/h3,5,9H,1-2,4H2,(H,15,16,17)
InChIKeyKVBAZDWBTJUSMZ-UHFFFAOYSA-N
XLogP1.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (CID 103240401) is 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is O=c1cc(OCC(F)(F)C(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The InChIKey is KVBAZDWBTJUSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-18-7-3-6(17)15-8(16-7)5-1-2-5/h3,5,9H,1-2,4H2,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one has a molecular weight of 266.19 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).