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

C16H16F3N3O5 — CID 137045845

IUPAC2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCC(NC(=O)c1cc(=O)[nH]c(OC)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O5/c1-25-8-12(9-3-5-10(6-4-9)27-16(17,18)19)20-14(24)11-7-13(23)22-15(21-11)26-2/h3-7,12H,8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyZVPSPTHJMCEKCD-UHFFFAOYSA-N
MW387.31 g/mol
LogP1.79
Rot. Bonds7

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

2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137045845) has the molecular formula C16H16F3N3O5 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137045845
Molecular FormulaC16H16F3N3O5
Molecular Weight387.31 g/mol
Exact Mass387.10
IUPAC Name2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCC(NC(=O)c1cc(=O)[nH]c(OC)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O5/c1-25-8-12(9-3-5-10(6-4-9)27-16(17,18)19)20-14(24)11-7-13(23)22-15(21-11)26-2/h3-7,12H,8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyZVPSPTHJMCEKCD-UHFFFAOYSA-N
XLogP1.79
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137045845) is 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is COCC(NC(=O)c1cc(=O)[nH]c(OC)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZVPSPTHJMCEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O5/c1-25-8-12(9-3-5-10(6-4-9)27-16(17,18)19)20-14(24)11-7-13(23)22-15(21-11)26-2/h3-7,12H,8H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 387.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137045845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).