N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C13H17F4N3O2 — CID 91784435

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1cc(C)nc(CCNC(=O)COCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H17F4N3O2/c1-8-5-9(2)20-10(19-8)3-4-18-11(21)6-22-7-13(16,17)12(14)15/h5,12H,3-4,6-7H2,1-2H3,(H,18,21)
InChIKeyXSMRTUKTQRHKCQ-UHFFFAOYSA-N
MW323.29 g/mol
LogP1.67
Rot. Bonds8

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91784435) has the molecular formula C13H17F4N3O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91784435
Molecular FormulaC13H17F4N3O2
Molecular Weight323.29 g/mol
Exact Mass323.13
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1cc(C)nc(CCNC(=O)COCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H17F4N3O2/c1-8-5-9(2)20-10(19-8)3-4-18-11(21)6-22-7-13(16,17)12(14)15/h5,12H,3-4,6-7H2,1-2H3,(H,18,21)
InChIKeyXSMRTUKTQRHKCQ-UHFFFAOYSA-N
XLogP1.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91784435) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Cc1cc(C)nc(CCNC(=O)COCC(F)(F)C(F)F)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is XSMRTUKTQRHKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3O2/c1-8-5-9(2)20-10(19-8)3-4-18-11(21)6-22-7-13(16,17)12(14)15/h5,12H,3-4,6-7H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 323.29 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91784435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).