N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide

C15H12F5N3O — CID 91736105

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide
SMILESCc1cc(C)nc(N(C(=O)C(F)(F)C(F)(F)F)c2ccccc2)n1
InChIInChI=1S/C15H12F5N3O/c1-9-8-10(2)22-13(21-9)23(11-6-4-3-5-7-11)12(24)14(16,17)15(18,19)20/h3-8H,1-2H3
InChIKeyDLJMRZHECVMFKA-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.96
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide

N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide (PubChem CID 91736105) has the molecular formula C15H12F5N3O and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide
PubChem CID91736105
Molecular FormulaC15H12F5N3O
Molecular Weight345.27 g/mol
Exact Mass345.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide
SMILESCc1cc(C)nc(N(C(=O)C(F)(F)C(F)(F)F)c2ccccc2)n1
InChIInChI=1S/C15H12F5N3O/c1-9-8-10(2)22-13(21-9)23(11-6-4-3-5-7-11)12(24)14(16,17)15(18,19)20/h3-8H,1-2H3
InChIKeyDLJMRZHECVMFKA-UHFFFAOYSA-N
XLogP3.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
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 N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide (CID 91736105) is N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide is Cc1cc(C)nc(N(C(=O)C(F)(F)C(F)(F)F)c2ccccc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
The InChIKey is DLJMRZHECVMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N3O/c1-9-8-10(2)22-13(21-9)23(11-6-4-3-5-7-11)12(24)14(16,17)15(18,19)20/h3-8H,1-2H3.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide?
N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide has a molecular weight of 345.27 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide is sourced from PubChem (CID 91736105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).