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

C21H29N5O4 — CID 9355178

IUPAC2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(CC)cc2)c1=O
InChIInChI=1S/C21H29N5O4/c1-3-9-25-19(22)18(24-10-12-30-13-11-24)20(28)26(21(25)29)14-17(27)23-16-7-5-15(4-2)6-8-16/h5-8H,3-4,9-14,22H2,1-2H3,(H,23,27)
InChIKeyJFTRUYXUGDBXSK-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.04
Rot. Bonds7

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

2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 9355178) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
PubChem CID9355178
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(CC)cc2)c1=O
InChIInChI=1S/C21H29N5O4/c1-3-9-25-19(22)18(24-10-12-30-13-11-24)20(28)26(21(25)29)14-17(27)23-16-7-5-15(4-2)6-8-16/h5-8H,3-4,9-14,22H2,1-2H3,(H,23,27)
InChIKeyJFTRUYXUGDBXSK-UHFFFAOYSA-N
XLogP1.04
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.04
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-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
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 9355194
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
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5307802
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 27286571
ethyl 4-[[2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 91903965

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-ethylphenyl)acetamide?
The IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide (CID 9355178) is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(CC)cc2)c1=O.
What is the InChIKey of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is JFTRUYXUGDBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-3-9-25-19(22)18(24-10-12-30-13-11-24)20(28)26(21(25)29)14-17(27)23-16-7-5-15(4-2)6-8-16/h5-8H,3-4,9-14,22H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide?
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 1.04, 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 9355178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).