5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide

C16H15F3N4O2 — CID 10154984

IUPAC5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O2/c1-3-21-14(24)23-13(12(8-20)9(2)22-15(23)25)10-5-4-6-11(7-10)16(17,18)19/h4-7,13H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHFEGEABHASSMCZ-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.30
Rot. Bonds2

About 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide

5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide (PubChem CID 10154984) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide
PubChem CID10154984
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O2/c1-3-21-14(24)23-13(12(8-20)9(2)22-15(23)25)10-5-4-6-11(7-10)16(17,18)19/h4-7,13H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHFEGEABHASSMCZ-UHFFFAOYSA-N
XLogP3.30
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide?
The IUPAC name of 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide (CID 10154984) is 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide is CCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide?
The InChIKey is HFEGEABHASSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-3-21-14(24)23-13(12(8-20)9(2)22-15(23)25)10-5-4-6-11(7-10)16(17,18)19/h4-7,13H,3H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide?
5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 10154984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).