5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide

C20H32FN5O5 — CID 14997855

IUPAC5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide
SMILESCCCC(CCC)C(=O)NCC(=O)NCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C20H32FN5O5/c1-3-8-14(9-4-2)17(28)24-12-16(27)22-10-6-5-7-11-23-19(30)26-13-15(21)18(29)25-20(26)31/h13-14H,3-12H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)(H,25,29,31)
InChIKeyXGTRJWOPUBSKPF-UHFFFAOYSA-N
MW441.50 g/mol
LogP0.85
Rot. Bonds13

About 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide (PubChem CID 14997855) has the molecular formula C20H32FN5O5 and a molecular weight of 441.50 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide
PubChem CID14997855
Molecular FormulaC20H32FN5O5
Molecular Weight441.50 g/mol
Exact Mass441.24
IUPAC Name5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide
SMILESCCCC(CCC)C(=O)NCC(=O)NCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C20H32FN5O5/c1-3-8-14(9-4-2)17(28)24-12-16(27)22-10-6-5-7-11-23-19(30)26-13-15(21)18(29)25-20(26)31/h13-14H,3-12H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)(H,25,29,31)
InChIKeyXGTRJWOPUBSKPF-UHFFFAOYSA-N
XLogP0.85
TPSA142.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide (CID 14997855) is 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide is CCCC(CCC)C(=O)NCC(=O)NCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide?
The InChIKey is XGTRJWOPUBSKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5O5/c1-3-8-14(9-4-2)17(28)24-12-16(27)22-10-6-5-7-11-23-19(30)26-13-15(21)18(29)25-20(26)31/h13-14H,3-12H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)(H,25,29,31).
What are the key properties of 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 0.85, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-[5-[[2-(2-propylpentanoylamino)acetyl]amino]pentyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 14997855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).