3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C15H16FN3O4 — CID 121026626

IUPAC3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C15H16FN3O4/c1-23-7-6-17-13(20)11-8-18-15(22)19(14(11)21)9-10-4-2-3-5-12(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,20)(H,18,22)
InChIKeyFQIDEWFUMZXFGJ-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.10
Rot. Bonds6

About 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121026626) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121026626
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C15H16FN3O4/c1-23-7-6-17-13(20)11-8-18-15(22)19(14(11)21)9-10-4-2-3-5-12(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,20)(H,18,22)
InChIKeyFQIDEWFUMZXFGJ-UHFFFAOYSA-N
XLogP0.10
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121026626) is 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COCCNC(=O)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FQIDEWFUMZXFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-23-7-6-17-13(20)11-8-18-15(22)19(14(11)21)9-10-4-2-3-5-12(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).