5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione

C4H3FN2O2 — CID 71777383

IUPAC5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione
SMILESO=C1[15NH][13C](=O)[15N]=CC1F
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2H,(H,7,8,9)/i4+1,6+1,7+1
InChIKeyXXJVAECJPJFQAQ-XZQGXACKSA-N
MW133.06 g/mol
LogP-0.35
Rot. Bonds

About 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione

5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione (PubChem CID 71777383) has the molecular formula C4H3FN2O2 and a molecular weight of 133.06 g/mol. Its IUPAC name is 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione
PubChem CID71777383
Molecular FormulaC4H3FN2O2
Molecular Weight133.06 g/mol
Exact Mass133.02
IUPAC Name5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione
SMILESO=C1[15NH][13C](=O)[15N]=CC1F
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2H,(H,7,8,9)/i4+1,6+1,7+1
InChIKeyXXJVAECJPJFQAQ-XZQGXACKSA-N
XLogP-0.35
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.06
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione (CID 71777383) is 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione is O=C1[15NH][13C](=O)[15N]=CC1F.
What is the InChIKey of 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione?
The InChIKey is XXJVAECJPJFQAQ-XZQGXACKSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2H,(H,7,8,9)/i4+1,6+1,7+1.
What are the key properties of 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione?
5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione has a molecular weight of 133.06 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-(213C,1,3-15N2)5H-pyrimidine-2,4-dione is sourced from PubChem (CID 71777383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).