1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione

C14H16FN3O2 — CID 58578646

IUPAC1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCc1nc(=O)n(C(C)C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-9(2)18-13(19)16-10(3)17(14(18)20)8-11-4-6-12(15)7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyAGNIUPIXWDDSDJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.48
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione

1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione (PubChem CID 58578646) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione
PubChem CID58578646
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCc1nc(=O)n(C(C)C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-9(2)18-13(19)16-10(3)17(14(18)20)8-11-4-6-12(15)7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyAGNIUPIXWDDSDJ-UHFFFAOYSA-N
XLogP1.48
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3,3-di(propan-2-yl)-1-[(2,3,5-trifluorophenyl)methyl]urea
CID 121446843
1-Benzyl-1,3,5-triazine-2,4(1h,3h)-dione
CID 253900
6-[(4-methylbenzyl)amino]-3-propyl-1H-s-triazine-2,4-quinone
CID 16654715
3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione
CID 155808183
6-[(1-Benzylpiperidin-4-yl)amino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 46869026
1-Ethyl-3-[3-[3-[(2-fluorophenyl)methyl-methylamino]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methyl-1,3,5-triazine-2,4-dione
CID 57927518
5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide
CID 58138332
(E)-N-benzyl-4-((dimethylamino)methyleneamino)-5-fluoro-2-oxopyrimidine-1(2H)-carboxamide
CID 58138381
5-fluoro-4-(2-fluorobenzylamino)-1-isobutylpyrimidin-2(1H)-one
CID 58166437
4-[[5-[(4-Fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]butanimidamide
CID 58295002
1-[(4-Fluorophenyl)methyl]-6-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578632
6-(ethylthio)-1-(4-fluorbenzyl)-3-isopropyl-1,3,5-triazine-2,4(1H,3H)-dion
CID 67994499

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione (CID 58578646) is 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione is Cc1nc(=O)n(C(C)C)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The InChIKey is AGNIUPIXWDDSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9(2)18-13(19)16-10(3)17(14(18)20)8-11-4-6-12(15)7-5-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione?
1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione has a molecular weight of 277.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).