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

C19H18FN3O2S — CID 58295005

IUPAC3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
SMILESCSc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(C)cc1
InChIInChI=1S/C19H18FN3O2S/c1-13-3-5-14(6-4-13)12-23-18(26-2)21-17(24)22(19(23)25)11-15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyONCYAHFAYKMZJM-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.67
Rot. Bonds5

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

3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione (PubChem CID 58295005) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
PubChem CID58295005
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
SMILESCSc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(C)cc1
InChIInChI=1S/C19H18FN3O2S/c1-13-3-5-14(6-4-13)12-23-18(26-2)21-17(24)22(19(23)25)11-15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyONCYAHFAYKMZJM-UHFFFAOYSA-N
XLogP2.67
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[(4-Fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70683924
1,5-Dibenzyl-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one
CID 10688468
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-Benzyl-5-benzylimino-2-methyl-1,2,4-thiadiazolidin-3-one
CID 24745726
6-(Ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674745
3-(tert-Butyl)-6-(ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674893
3-[(4-fluorophenyl)methyl]-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione
CID 59550686
1-[(4-Chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
CID 155808180
6-[3-(Dimethylamino)propylamino]-1,3-bis[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 155809932
4-[[5-[(4-Fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]butanimidamide
CID 58295002
6-(2-Aminoethylamino)-3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 58295022

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione (CID 58295005) is 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione is CSc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(C)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
The InChIKey is ONCYAHFAYKMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-13-3-5-14(6-4-13)12-23-18(26-2)21-17(24)22(19(23)25)11-15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58295005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).