5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione

C6H8FN3O2 — CID 80550978

IUPAC5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
SMILESCNCC1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C6H8FN3O2/c1-8-2-3-9-5(11)4(7)6(12)10-3/h4,8H,2H2,1H3,(H,9,10,11,12)
InChIKeyZXMXVVAEFUFQTD-UHFFFAOYSA-N
MW173.15 g/mol
LogP-1.40
Rot. Bonds2

About 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione

5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione (PubChem CID 80550978) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
PubChem CID80550978
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
SMILESCNCC1=NC(=O)C(F)C(=O)N1
InChIInChI=1S/C6H8FN3O2/c1-8-2-3-9-5(11)4(7)6(12)10-3/h4,8H,2H2,1H3,(H,9,10,11,12)
InChIKeyZXMXVVAEFUFQTD-UHFFFAOYSA-N
XLogP-1.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione (CID 80550978) is 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione is CNCC1=NC(=O)C(F)C(=O)N1.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
The InChIKey is ZXMXVVAEFUFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c1-8-2-3-9-5(11)4(7)6(12)10-3/h4,8H,2H2,1H3,(H,9,10,11,12).
What are the key properties of 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione?
5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione has a molecular weight of 173.15 g/mol, XLogP of -1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).