6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

C19H16FN3O2 — CID 3237685

IUPAC6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc32)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c20-15-7-5-13(6-8-15)12-23-18(24)11-17(21-19(23)25)22-10-9-14-3-1-2-4-16(14)22/h1-8,11H,9-10,12H2,(H,21,25)
InChIKeyAGBZJWQTKDBXCI-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.42
Rot. Bonds3

About 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 3237685) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID3237685
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc32)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c20-15-7-5-13(6-8-15)12-23-18(24)11-17(21-19(23)25)22-10-9-14-3-1-2-4-16(14)22/h1-8,11H,9-10,12H2,(H,21,25)
InChIKeyAGBZJWQTKDBXCI-UHFFFAOYSA-N
XLogP2.42
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 3237685) is 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is AGBZJWQTKDBXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-15-7-5-13(6-8-15)12-23-18(24)11-17(21-19(23)25)22-10-9-14-3-1-2-4-16(14)22/h1-8,11H,9-10,12H2,(H,21,25).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 337.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3237685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).