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

C22H31N5O4 — CID 9355194

IUPAC2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O
InChIInChI=1S/C22H31N5O4/c1-4-9-26-20(23)19(25-10-12-31-13-11-25)21(29)27(22(26)30)14-18(28)24-17-8-6-5-7-16(17)15(2)3/h5-8,15H,4,9-14,23H2,1-3H3,(H,24,28)
InChIKeyDZJYPCUODQJXJA-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.60
Rot. Bonds7

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

2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 9355194) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID9355194
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O
InChIInChI=1S/C22H31N5O4/c1-4-9-26-20(23)19(25-10-12-31-13-11-25)21(29)27(22(26)30)14-18(28)24-17-8-6-5-7-16(17)15(2)3/h5-8,15H,4,9-14,23H2,1-3H3,(H,24,28)
InChIKeyDZJYPCUODQJXJA-UHFFFAOYSA-N
XLogP1.60
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-butan-2-ylphenyl)acetamide
CID 3646369
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-(4-bromophenyl)acetamide
CID 25465292
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355170
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 39915555
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9355302
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4843872
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-propan-2-ylphenyl)acetamide
CID 108794886
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 9355194) is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O.
What is the InChIKey of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is DZJYPCUODQJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-4-9-26-20(23)19(25-10-12-31-13-11-25)21(29)27(22(26)30)14-18(28)24-17-8-6-5-7-16(17)15(2)3/h5-8,15H,4,9-14,23H2,1-3H3,(H,24,28).
What are the key properties of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 1.60, 7 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-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 9355194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).