2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

C24H26FN5O4 — CID 2491586

IUPAC2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H26FN5O4/c1-3-29-23(33)21(22(26)30(24(29)34)13-16-8-5-4-6-9-16)19(31)14-28(2)15-20(32)27-18-11-7-10-17(25)12-18/h4-12H,3,13-15,26H2,1-2H3,(H,27,32)
InChIKeyXLIVLIDYFZMYOU-UHFFFAOYSA-N
MW467.50 g/mol
LogP1.55
Rot. Bonds9

About 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 2491586) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID2491586
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H26FN5O4/c1-3-29-23(33)21(22(26)30(24(29)34)13-16-8-5-4-6-9-16)19(31)14-28(2)15-20(32)27-18-11-7-10-17(25)12-18/h4-12H,3,13-15,26H2,1-2H3,(H,27,32)
InChIKeyXLIVLIDYFZMYOU-UHFFFAOYSA-N
XLogP1.55
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (CID 2491586) is 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is CCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is XLIVLIDYFZMYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-3-29-23(33)21(22(26)30(24(29)34)13-16-8-5-4-6-9-16)19(31)14-28(2)15-20(32)27-18-11-7-10-17(25)12-18/h4-12H,3,13-15,26H2,1-2H3,(H,27,32).
What are the key properties of 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 467.50 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 2491586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).