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

C6H8FN3O2 — CID 118528199

IUPAC5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione
SMILESCNCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H8FN3O2/c1-8-3-10-2-4(7)5(11)9-6(10)12/h2,8H,3H2,1H3,(H,9,11,12)
InChIKeyMVDBYGSIQOSLGA-UHFFFAOYSA-N
MW173.15 g/mol
LogP-1.15
Rot. Bonds2

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

5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione (PubChem CID 118528199) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione
PubChem CID118528199
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione
SMILESCNCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H8FN3O2/c1-8-3-10-2-4(7)5(11)9-6(10)12/h2,8H,3H2,1H3,(H,9,11,12)
InChIKeyMVDBYGSIQOSLGA-UHFFFAOYSA-N
XLogP-1.15
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione (CID 118528199) is 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione is CNCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione?
The InChIKey is MVDBYGSIQOSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c1-8-3-10-2-4(7)5(11)9-6(10)12/h2,8H,3H2,1H3,(H,9,11,12).
What are the key properties of 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione?
5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione has a molecular weight of 173.15 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(methylaminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 118528199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).