N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C19H11F6N3O2 — CID 92648753

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H11F6N3O2/c20-18(21,22)11-6-12(19(23,24)25)8-13(7-11)27-16(29)14-9-26-15(28-17(14)30)10-4-2-1-3-5-10/h1-9H,(H,27,29)(H,26,28,30)
InChIKeyRIGNNSSQSSMYAD-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.73
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648753) has the molecular formula C19H11F6N3O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648753
Molecular FormulaC19H11F6N3O2
Molecular Weight427.30 g/mol
Exact Mass427.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H11F6N3O2/c20-18(21,22)11-6-12(19(23,24)25)8-13(7-11)27-16(29)14-9-26-15(28-17(14)30)10-4-2-1-3-5-10/h1-9H,(H,27,29)(H,26,28,30)
InChIKeyRIGNNSSQSSMYAD-UHFFFAOYSA-N
XLogP4.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648757
N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648623
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648652
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648657
N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648639
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 46918187
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10574522
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648753) is N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is RIGNNSSQSSMYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N3O2/c20-18(21,22)11-6-12(19(23,24)25)8-13(7-11)27-16(29)14-9-26-15(28-17(14)30)10-4-2-1-3-5-10/h1-9H,(H,27,29)(H,26,28,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).