2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide

C19H24BrN5O4 — CID 25465292

IUPAC2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1=O
InChIInChI=1S/C19H24BrN5O4/c1-2-7-24-17(21)16(23-8-10-29-11-9-23)18(27)25(19(24)28)12-15(26)22-14-5-3-13(20)4-6-14/h3-6H,2,7-12,21H2,1H3,(H,22,26)
InChIKeyYIOCWPDEVIBOHL-UHFFFAOYSA-N
MW466.34 g/mol
LogP1.24
Rot. Bonds6

About 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide

2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 25465292) has the molecular formula C19H24BrN5O4 and a molecular weight of 466.34 g/mol. Its IUPAC name is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID25465292
Molecular FormulaC19H24BrN5O4
Molecular Weight466.34 g/mol
Exact Mass465.10
IUPAC Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1=O
InChIInChI=1S/C19H24BrN5O4/c1-2-7-24-17(21)16(23-8-10-29-11-9-23)18(27)25(19(24)28)12-15(26)22-14-5-3-13(20)4-6-14/h3-6H,2,7-12,21H2,1H3,(H,22,26)
InChIKeyYIOCWPDEVIBOHL-UHFFFAOYSA-N
XLogP1.24
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9355178
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 9355194
6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355179
6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355192
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4843872
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 39915571
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 39915561
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-butan-2-ylphenyl)acetamide
CID 3646369
6-amino-1-butyl-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-morpholin-4-ylpyrimidine-2,4-dione
CID 2453936
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 9355255

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide (CID 25465292) is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1=O.
What is the InChIKey of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is YIOCWPDEVIBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O4/c1-2-7-24-17(21)16(23-8-10-29-11-9-23)18(27)25(19(24)28)12-15(26)22-14-5-3-13(20)4-6-14/h3-6H,2,7-12,21H2,1H3,(H,22,26).
What are the key properties of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 466.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 25465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).