2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one

C14H11F3N2O2 — CID 70354245

IUPAC2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one
SMILESCC1=NC(c2ccccc2C(F)(F)F)C2=C(COC2=O)N1
InChIInChI=1S/C14H11F3N2O2/c1-7-18-10-6-21-13(20)11(10)12(19-7)8-4-2-3-5-9(8)14(15,16)17/h2-5,12H,6H2,1H3,(H,18,19)
InChIKeyLUXNUTHBOGRJMY-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.58
Rot. Bonds1

About 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one

2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one (PubChem CID 70354245) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one
PubChem CID70354245
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one
SMILESCC1=NC(c2ccccc2C(F)(F)F)C2=C(COC2=O)N1
InChIInChI=1S/C14H11F3N2O2/c1-7-18-10-6-21-13(20)11(10)12(19-7)8-4-2-3-5-9(8)14(15,16)17/h2-5,12H,6H2,1H3,(H,18,19)
InChIKeyLUXNUTHBOGRJMY-UHFFFAOYSA-N
XLogP2.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one (CID 70354245) is 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one is CC1=NC(c2ccccc2C(F)(F)F)C2=C(COC2=O)N1.
What is the InChIKey of 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is LUXNUTHBOGRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-7-18-10-6-21-13(20)11(10)12(19-7)8-4-2-3-5-9(8)14(15,16)17/h2-5,12H,6H2,1H3,(H,18,19).
What are the key properties of 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one?
2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 296.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 70354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).