2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one

C11H15F4N3O — CID 136819380

IUPAC2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC(F)(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C11H15F4N3O/c1-5(16-4-11(14,15)10(12)13)8-6(2)17-7(3)18-9(8)19/h5,10,16H,4H2,1-3H3,(H,17,18,19)
InChIKeyZMDFQXQIBNHWNO-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.94
Rot. Bonds5

About 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 136819380) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID136819380
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC Name2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCC(F)(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C11H15F4N3O/c1-5(16-4-11(14,15)10(12)13)8-6(2)17-7(3)18-9(8)19/h5,10,16H,4H2,1-3H3,(H,17,18,19)
InChIKeyZMDFQXQIBNHWNO-UHFFFAOYSA-N
XLogP1.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one (CID 136819380) is 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCC(F)(F)C(F)F)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is ZMDFQXQIBNHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-5(16-4-11(14,15)10(12)13)8-6(2)17-7(3)18-9(8)19/h5,10,16H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 281.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136819380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).