2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H22F3N5O4 — CID 4851015

IUPAC2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C19H22F3N5O4/c1-3-8-27-16(23)15(17(30)25-18(27)31)13(28)9-26(2)10-14(29)24-12-7-5-4-6-11(12)19(20,21)22/h4-7H,3,8-10,23H2,1-2H3,(H,24,29)(H,25,30,31)
InChIKeyUETIGNFBHOLLHK-UHFFFAOYSA-N
MW441.41 g/mol
LogP1.30
Rot. Bonds8

About 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 4851015) has the molecular formula C19H22F3N5O4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID4851015
Molecular FormulaC19H22F3N5O4
Molecular Weight441.41 g/mol
Exact Mass441.16
IUPAC Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C19H22F3N5O4/c1-3-8-27-16(23)15(17(30)25-18(27)31)13(28)9-26(2)10-14(29)24-12-7-5-4-6-11(12)19(20,21)22/h4-7H,3,8-10,23H2,1-2H3,(H,24,29)(H,25,30,31)
InChIKeyUETIGNFBHOLLHK-UHFFFAOYSA-N
XLogP1.30
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[2-[(2-methoxyphenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4851075
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 71902916
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
6-amino-1-(2-methoxyethyl)-5-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 24665174
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-benzhydryl-methylazanium
CID 8017078
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide
CID 9286571
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725732

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 4851015) is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UETIGNFBHOLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O4/c1-3-8-27-16(23)15(17(30)25-18(27)31)13(28)9-26(2)10-14(29)24-12-7-5-4-6-11(12)19(20,21)22/h4-7H,3,8-10,23H2,1-2H3,(H,24,29)(H,25,30,31).
What are the key properties of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 441.41 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4851015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).