1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one

C13H16FN5O — CID 57260571

IUPAC1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one
SMILESCCc1nccc(F)c1CCn1cnc(NC)nc1=O
InChIInChI=1S/C13H16FN5O/c1-3-11-9(10(14)4-6-16-11)5-7-19-8-17-12(15-2)18-13(19)20/h4,6,8H,3,5,7H2,1-2H3,(H,15,18,20)
InChIKeyMZSOTGUYPGNIDF-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.02
Rot. Bonds5

About 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one

1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one (PubChem CID 57260571) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one
PubChem CID57260571
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one
SMILESCCc1nccc(F)c1CCn1cnc(NC)nc1=O
InChIInChI=1S/C13H16FN5O/c1-3-11-9(10(14)4-6-16-11)5-7-19-8-17-12(15-2)18-13(19)20/h4,6,8H,3,5,7H2,1-2H3,(H,15,18,20)
InChIKeyMZSOTGUYPGNIDF-UHFFFAOYSA-N
XLogP1.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
N-(4-fluorophenyl)-N'-[2-(4-pyridinyl)ethyl]urea
CID 894512
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-pyridin-2-ylmethyl-acetamide
CID 9842688
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
2-[5-Aminopentyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595656
2-(2-Cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595681
2-[4-Aminobutyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595683
1-Cyclohexyl-3-[2-(pyridin-4-yl)ethyl]urea
CID 712045
N'-(4-fluorophenyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]urea
CID 736116
N-cyclohexyl-N'-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
CID 3237480
2-[3-(2,2-Difluoro-2-phenyl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(4-methyl-pyridin-2-ylmethyl)-acetamide
CID 10895218
2-[3-(2,2-Difluoro-2-phenyl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-pyridin-2-ylmethyl)-acetamide
CID 11026399

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one?
The IUPAC name of 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one (CID 57260571) is 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one?
The canonical SMILES for 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one is CCc1nccc(F)c1CCn1cnc(NC)nc1=O.
What is the InChIKey of 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one?
The InChIKey is MZSOTGUYPGNIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-3-11-9(10(14)4-6-16-11)5-7-19-8-17-12(15-2)18-13(19)20/h4,6,8H,3,5,7H2,1-2H3,(H,15,18,20).
What are the key properties of 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one?
1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one has a molecular weight of 277.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-4-fluoro-3-pyridinyl)ethyl]-4-(methylamino)-1,3,5-triazin-2-one is sourced from PubChem (CID 57260571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).