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

C21H27F3N4O3 — CID 4791309

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H27F3N4O3/c1-12(2)10-27(16(29)9-14-6-5-7-15(8-14)21(22,23)24)17-18(25)28(11-13(3)4)20(31)26-19(17)30/h5-8,12-13H,9-11,25H2,1-4H3,(H,26,30,31)
InChIKeyJRKMBNCYUHNNER-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.03
Rot. Bonds7

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4791309) has the molecular formula C21H27F3N4O3 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID4791309
Molecular FormulaC21H27F3N4O3
Molecular Weight440.47 g/mol
Exact Mass440.20
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H27F3N4O3/c1-12(2)10-27(16(29)9-14-6-5-7-15(8-14)21(22,23)24)17-18(25)28(11-13(3)4)20(31)26-19(17)30/h5-8,12-13H,9-11,25H2,1-4H3,(H,26,30,31)
InChIKeyJRKMBNCYUHNNER-UHFFFAOYSA-N
XLogP3.03
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26200710
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55327694
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 30724872
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 34200466
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534811
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846346
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide
CID 24979633
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide
CID 31842412
6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 4791309) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JRKMBNCYUHNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O3/c1-12(2)10-27(16(29)9-14-6-5-7-15(8-14)21(22,23)24)17-18(25)28(11-13(3)4)20(31)26-19(17)30/h5-8,12-13H,9-11,25H2,1-4H3,(H,26,30,31).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4791309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).