(5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate

C20H33FN2O4 — CID 57202966

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C20H33FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)27-23-16-17(21)19(25)22-20(23)26/h16H,2-15H2,1H3,(H,22,25,26)
InChIKeyIZXHVXNTIQPSJY-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.11
Rot. Bonds15

About (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate (PubChem CID 57202966) has the molecular formula C20H33FN2O4 and a molecular weight of 384.49 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate
PubChem CID57202966
Molecular FormulaC20H33FN2O4
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C20H33FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)27-23-16-17(21)19(25)22-20(23)26/h16H,2-15H2,1H3,(H,22,25,26)
InChIKeyIZXHVXNTIQPSJY-UHFFFAOYSA-N
XLogP4.11
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
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 (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate (CID 57202966) is (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate is CCCCCCCCCCCCCCCC(=O)On1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate?
The InChIKey is IZXHVXNTIQPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)27-23-16-17(21)19(25)22-20(23)26/h16H,2-15H2,1H3,(H,22,25,26).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate has a molecular weight of 384.49 g/mol, XLogP of 4.11, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate is sourced from PubChem (CID 57202966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).