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

C20H22FN5O2 — CID 58295022

IUPAC6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(NCCN)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H22FN5O2/c1-14-2-4-15(5-3-14)12-25-18(23-11-10-22)24-19(27)26(20(25)28)13-16-6-8-17(21)9-7-16/h2-9H,10-13,22H2,1H3,(H,23,24,27)
InChIKeyNRJWXLFVPNNQMI-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.32
Rot. Bonds7

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

6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione (PubChem CID 58295022) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione
PubChem CID58295022
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(NCCN)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H22FN5O2/c1-14-2-4-15(5-3-14)12-25-18(23-11-10-22)24-19(27)26(20(25)28)13-16-6-8-17(21)9-7-16/h2-9H,10-13,22H2,1H3,(H,23,24,27)
InChIKeyNRJWXLFVPNNQMI-UHFFFAOYSA-N
XLogP1.32
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[1-[(4-Methylphenyl)methyl]-4,6-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677472
4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
4-Benzylimino-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 146364023
3-Benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
4-Ethylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 136728217
4-[(3-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421242
4-[(4-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421326
4-[(2-Fluorophenyl)methylimino]-1-methyl-6-(3,4,5-trifluorophenyl)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-2-one
CID 139421352
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
4-(4-Fluorophenyl)-6-propylimino-1,3,5-triazinan-2-one
CID 137129944
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
1-Benzyl-1-[2-(dimethylamino)ethyl]-3-[(3-fluoro-4-methylphenyl)methyl]urea
CID 30886413

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione (CID 58295022) is 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione is Cc1ccc(Cn2c(NCCN)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione?
The InChIKey is NRJWXLFVPNNQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-14-2-4-15(5-3-14)12-25-18(23-11-10-22)24-19(27)26(20(25)28)13-16-6-8-17(21)9-7-16/h2-9H,10-13,22H2,1H3,(H,23,24,27).
What are the key properties of 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione?
6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione has a molecular weight of 383.43 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58295022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).