6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane

C24H28F3N3O3 — CID 143502399

IUPAC6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane
SMILESCC.CCC(C)c1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22F3N3O3.C2H6/c1-3-14(2)19-26-21(29)28(13-15-4-8-17(23)9-5-15)22(30)27(19)12-16-6-10-18(11-7-16)31-20(24)25;1-2/h4-11,14,20H,3,12-13H2,1-2H3;1-2H3
InChIKeyCWTDZEFTYCBCJZ-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.78
Rot. Bonds8

About 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane

6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane (PubChem CID 143502399) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane.

Molecular Properties

Compound Name6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane
PubChem CID143502399
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane
SMILESCC.CCC(C)c1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22F3N3O3.C2H6/c1-3-14(2)19-26-21(29)28(13-15-4-8-17(23)9-5-15)22(30)27(19)12-16-6-10-18(11-7-16)31-20(24)25;1-2/h4-11,14,20H,3,12-13H2,1-2H3;1-2H3
InChIKeyCWTDZEFTYCBCJZ-UHFFFAOYSA-N
XLogP4.78
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(2-amino-6,7-difluorobenzimidazol-1-yl)ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42606072
6-[2-(2-amino-7-fluoro-4H-quinazolin-3-yl)ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42606542
6-[2-(2-amino-7-methoxy-4H-quinazolin-3-yl)ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42606782
6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42605962
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
3-[(2,6-difluoro-4-methoxyphenyl)methyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-6-[(4,6-dimethyl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 56595724
4-(difluoromethoxy)-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499838
1-ethyl-3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116557
(5E)-5-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 7323823
3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-[2-[2-(propylamino)-3-pyridinyl]ethylamino]-1,3,5-triazine-2,4-dione
CID 24861755
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
(2S)-3-[3-[(4-ethylphenyl)methyl]-2,6-dioxo-4-(4-propan-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid
CID 130278225

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane?
The IUPAC name of 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane (CID 143502399) is 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane.
What is the SMILES notation for 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane?
The canonical SMILES for 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane is CC.CCC(C)c1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane?
The InChIKey is CWTDZEFTYCBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3.C2H6/c1-3-14(2)19-26-21(29)28(13-15-4-8-17(23)9-5-15)22(30)27(19)12-16-6-10-18(11-7-16)31-20(24)25;1-2/h4-11,14,20H,3,12-13H2,1-2H3;1-2H3.
What are the key properties of 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane?
6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane has a molecular weight of 463.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane is sourced from PubChem (CID 143502399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).