6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

C18H13F4N3O2 — CID 2823082

IUPAC6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2ccccc2F)c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F4N3O2/c19-13-7-3-1-5-11(13)10-24-16(26)9-15(23)25(17(24)27)14-8-4-2-6-12(14)18(20,21)22/h1-9H,10,23H2
InChIKeyUXADAMDLNPHBPI-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.79
Rot. Bonds3

About 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 2823082) has the molecular formula C18H13F4N3O2 and a molecular weight of 379.31 g/mol. Its IUPAC name is 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID2823082
Molecular FormulaC18H13F4N3O2
Molecular Weight379.31 g/mol
Exact Mass379.09
IUPAC Name6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2ccccc2F)c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F4N3O2/c19-13-7-3-1-5-11(13)10-24-16(26)9-15(23)25(17(24)27)14-8-4-2-6-12(14)18(20,21)22/h1-9H,10,23H2
InChIKeyUXADAMDLNPHBPI-UHFFFAOYSA-N
XLogP2.79
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 2823082) is 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is Nc1cc(=O)n(Cc2ccccc2F)c(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is UXADAMDLNPHBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2/c19-13-7-3-1-5-11(13)10-24-16(26)9-15(23)25(17(24)27)14-8-4-2-6-12(14)18(20,21)22/h1-9H,10,23H2.
What are the key properties of 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 379.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2823082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).