5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide

C10H10FN3O3 — CID 20525069

IUPAC5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide
SMILESC/C=C/C=C/NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H10FN3O3/c1-2-3-4-5-12-9(16)14-6-7(11)8(15)13-10(14)17/h2-6H,1H3,(H,12,16)(H,13,15,17)/b3-2+,5-4+
InChIKeyDNPWNXRLJUDVGU-MQQKCMAXSA-N
MW239.21 g/mol
LogP0.32
Rot. Bonds2

About 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide (PubChem CID 20525069) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide
PubChem CID20525069
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide
SMILESC/C=C/C=C/NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H10FN3O3/c1-2-3-4-5-12-9(16)14-6-7(11)8(15)13-10(14)17/h2-6H,1H3,(H,12,16)(H,13,15,17)/b3-2+,5-4+
InChIKeyDNPWNXRLJUDVGU-MQQKCMAXSA-N
XLogP0.32
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide (CID 20525069) is 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide is C/C=C/C=C/NC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide?
The InChIKey is DNPWNXRLJUDVGU-MQQKCMAXSA-N. The full InChI is InChI=1S/C10H10FN3O3/c1-2-3-4-5-12-9(16)14-6-7(11)8(15)13-10(14)17/h2-6H,1H3,(H,12,16)(H,13,15,17)/b3-2+,5-4+.
What are the key properties of 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide has a molecular weight of 239.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-[(1E,3E)-penta-1,3-dienyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 20525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).