Flucytosine

C₄H₄FN₃O — CID 3366

About Flucytosine

Flucytosine (PubChem CID 3366) has the molecular formula C₄H₄FN₃O and a molecular weight of 129.09 g/mol. Its IUPAC name is 6-amino-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: Flucytosine
• PubChem CID: 3366
• Molecular Formula: C₄H₄FN₃O
• Molecular Weight: 129.09 g/mol
• Exact Mass: 129.03
• IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one
• SMILES: Nc1[nH]c(=O)ncc1F
• InChI: InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
• InChIKey: XRECTZIEBJDKEO-UHFFFAOYSA-N
• XLogP: -0.51
• TPSA: 71.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	129.09
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Flucytosine?

The IUPAC name of Flucytosine (CID 3366) is 6-amino-5-fluoro-1H-pyrimidin-2-one.

What is the SMILES notation for Flucytosine?

The canonical SMILES for Flucytosine is Nc1[nH]c(=O)ncc1F.

What is the InChIKey of Flucytosine?

The InChIKey is XRECTZIEBJDKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9).

What are the key properties of Flucytosine?

Flucytosine has a molecular weight of 129.09 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Flucytosine is sourced from PubChem (CID 3366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3366 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1188 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.