3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione

C21H19FN4O2 — CID 58578648

IUPAC3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione
SMILESCCn1c(=O)nc(Nc2ccc3c(c2)C=CC3)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H19FN4O2/c1-2-25-20(27)24-19(23-18-11-8-15-4-3-5-16(15)12-18)26(21(25)28)13-14-6-9-17(22)10-7-14/h3,5-12H,2,4,13H2,1H3,(H,23,24,27)
InChIKeyUHJMIEMYRJNLTK-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.93
Rot. Bonds5

About 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione

3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione (PubChem CID 58578648) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione
PubChem CID58578648
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione
SMILESCCn1c(=O)nc(Nc2ccc3c(c2)C=CC3)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H19FN4O2/c1-2-25-20(27)24-19(23-18-11-8-15-4-3-5-16(15)12-18)26(21(25)28)13-14-6-9-17(22)10-7-14/h3,5-12H,2,4,13H2,1H3,(H,23,24,27)
InChIKeyUHJMIEMYRJNLTK-UHFFFAOYSA-N
XLogP2.93
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione?
The IUPAC name of 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione (CID 58578648) is 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione?
The canonical SMILES for 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione is CCn1c(=O)nc(Nc2ccc3c(c2)C=CC3)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione?
The InChIKey is UHJMIEMYRJNLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-2-25-20(27)24-19(23-18-11-8-15-4-3-5-16(15)12-18)26(21(25)28)13-14-6-9-17(22)10-7-14/h3,5-12H,2,4,13H2,1H3,(H,23,24,27).
What are the key properties of 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione?
3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione has a molecular weight of 378.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-fluorophenyl)methyl]-6-(1H-inden-5-ylamino)-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).