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

C20H20ClFN4O2 — CID 58578762

IUPAC6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NCc2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H20ClFN4O2/c1-13(2)26-19(27)24-18(23-11-14-3-7-16(21)8-4-14)25(20(26)28)12-15-5-9-17(22)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,23,24,27)
InChIKeyMWEJWMOAFVICDL-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.44
Rot. Bonds6

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

6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (PubChem CID 58578762) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
PubChem CID58578762
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NCc2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H20ClFN4O2/c1-13(2)26-19(27)24-18(23-11-14-3-7-16(21)8-4-14)25(20(26)28)12-15-5-9-17(22)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,23,24,27)
InChIKeyMWEJWMOAFVICDL-UHFFFAOYSA-N
XLogP3.44
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione with MolForge

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Related Compounds

2-[2-[[1-[(3,4-Dichlorophenyl)methyl]-5-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677473
1-[(4-Chlorophenyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
CID 58578560
4-(4-Chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one
CID 10340786
1-[(4-Chlorophenyl)methyl]-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 68019495
6-[1-(4-Chlorophenyl)ethylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
CID 76821409
1,1'-Hexamethylenebis(3-(4-chlorobenzyl)-3-methylurea)
CID 307322
1-Benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
CID 11573773
1-(2-(5-(3,4-Dichlorobenzyl)-1-hexyl-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 45267225
1-(2-(1-Benzyl-5-(4-chloro-2-methoxybenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 45272355
1-(2-(5-Benzyl-1-(4-fluorobenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 11950301
[[(4-Chlorophenyl)methylamino]-[cyclohexyl(propan-2-yl)amino]methylidene]-dimethylazanium
CID 24778068
2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50747203

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (CID 58578762) is 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is CC(C)n1c(=O)nc(NCc2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The InChIKey is MWEJWMOAFVICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-13(2)26-19(27)24-18(23-11-14-3-7-16(21)8-4-14)25(20(26)28)12-15-5-9-17(22)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,23,24,27).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione has a molecular weight of 402.86 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).