N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide

C22H23FN4O4 — CID 2462596

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C22H23FN4O4/c1-31-12-11-26-20(24)19(21(29)25-22(26)30)27(14-15-7-3-2-4-8-15)18(28)13-16-9-5-6-10-17(16)23/h2-10H,11-14,24H2,1H3,(H,25,29,30)
InChIKeyGSHQSHZXEXNSBG-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.68
Rot. Bonds8

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide (PubChem CID 2462596) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide
PubChem CID2462596
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C22H23FN4O4/c1-31-12-11-26-20(24)19(21(29)25-22(26)30)27(14-15-7-3-2-4-8-15)18(28)13-16-9-5-6-10-17(16)23/h2-10H,11-14,24H2,1H3,(H,25,29,30)
InChIKeyGSHQSHZXEXNSBG-UHFFFAOYSA-N
XLogP1.68
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide (CID 2462596) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide?
The InChIKey is GSHQSHZXEXNSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4/c1-31-12-11-26-20(24)19(21(29)25-22(26)30)27(14-15-7-3-2-4-8-15)18(28)13-16-9-5-6-10-17(16)23/h2-10H,11-14,24H2,1H3,(H,25,29,30).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide has a molecular weight of 426.45 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2462596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).