2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C24H32ClF3N6O4 — CID 4845597

IUPAC2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN(C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H32ClF3N6O4/c1-13(2)9-33(20-21(29)34(10-14(3)4)23(38)31-22(20)37)19(36)12-32(5)11-18(35)30-15-6-7-17(25)16(8-15)24(26,27)28/h6-8,13-14H,9-12,29H2,1-5H3,(H,30,35)(H,31,37,38)
InChIKeyQGMMSXWFQNVABD-UHFFFAOYSA-N
MW561.01 g/mol
LogP3.01
Rot. Bonds10

About 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4845597) has the molecular formula C24H32ClF3N6O4 and a molecular weight of 561.01 g/mol. Its IUPAC name is 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID4845597
Molecular FormulaC24H32ClF3N6O4
Molecular Weight561.01 g/mol
Exact Mass560.21
IUPAC Name2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN(C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H32ClF3N6O4/c1-13(2)9-33(20-21(29)34(10-14(3)4)23(38)31-22(20)37)19(36)12-32(5)11-18(35)30-15-6-7-17(25)16(8-15)24(26,27)28/h6-8,13-14H,9-12,29H2,1-5H3,(H,30,35)(H,31,37,38)
InChIKeyQGMMSXWFQNVABD-UHFFFAOYSA-N
XLogP3.01
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.01
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

3-(4-Chloro-3-(trifluoromethyl)phenyl)-5,5-dimethyl-2,4-imidazolidinedione
CID 3054078
2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2469805
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-(1-piperidinyl)acetamide
CID 2200094
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783426
6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 156905883
6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 156905885
2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2062489
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2100439
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide
CID 2507102
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 4845483
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide
CID 9114768
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide
CID 16285060

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 4845597) is 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is CC(C)CN(C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QGMMSXWFQNVABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClF3N6O4/c1-13(2)9-33(20-21(29)34(10-14(3)4)23(38)31-22(20)37)19(36)12-32(5)11-18(35)30-15-6-7-17(25)16(8-15)24(26,27)28/h6-8,13-14H,9-12,29H2,1-5H3,(H,30,35)(H,31,37,38).
What are the key properties of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 561.01 g/mol, XLogP of 3.01, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4845597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).