2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

C17H18F3N3O4 — CID 137146173

IUPAC2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCOCCOc1nc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C17H18F3N3O4/c1-26-8-9-27-16-22-13(10-14(24)23-16)15(25)21-7-6-11-2-4-12(5-3-11)17(18,19)20/h2-5,10H,6-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyABGPKNLZMNLHIR-UHFFFAOYSA-N
MW385.34 g/mol
LogP1.79
Rot. Bonds8

About 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 137146173) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID137146173
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCOCCOc1nc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C17H18F3N3O4/c1-26-8-9-27-16-22-13(10-14(24)23-16)15(25)21-7-6-11-2-4-12(5-3-11)17(18,19)20/h2-5,10H,6-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyABGPKNLZMNLHIR-UHFFFAOYSA-N
XLogP1.79
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (CID 137146173) is 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is COCCOc1nc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is ABGPKNLZMNLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-26-8-9-27-16-22-13(10-14(24)23-16)15(25)21-7-6-11-2-4-12(5-3-11)17(18,19)20/h2-5,10H,6-9H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137146173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).