5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide

C14H14FN3O6 — CID 10497271

IUPAC5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide
SMILESCOc1cc(NC(=O)n2cc(F)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H14FN3O6/c1-22-9-4-7(5-10(23-2)11(9)24-3)16-13(20)18-6-8(15)12(19)17-14(18)21/h4-6H,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyFQOPOYBKZNOFQK-UHFFFAOYSA-N
MW339.28 g/mol
LogP0.78
Rot. Bonds4

About 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide (PubChem CID 10497271) has the molecular formula C14H14FN3O6 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide
PubChem CID10497271
Molecular FormulaC14H14FN3O6
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide
SMILESCOc1cc(NC(=O)n2cc(F)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H14FN3O6/c1-22-9-4-7(5-10(23-2)11(9)24-3)16-13(20)18-6-8(15)12(19)17-14(18)21/h4-6H,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyFQOPOYBKZNOFQK-UHFFFAOYSA-N
XLogP0.78
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide (CID 10497271) is 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide is COc1cc(NC(=O)n2cc(F)c(=O)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide?
The InChIKey is FQOPOYBKZNOFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O6/c1-22-9-4-7(5-10(23-2)11(9)24-3)16-13(20)18-6-8(15)12(19)17-14(18)21/h4-6H,1-3H3,(H,16,20)(H,17,19,21).
What are the key properties of 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)pyrimidine-1-carboxamide is sourced from PubChem (CID 10497271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).