5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine

C16H12FN3O3 — CID 159111962

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine
SMILESO=c1[nH]cc(F)c(=O)[nH]1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C12H9NO.C4H3FN2O2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;5-2-1-6-4(9)7-3(2)8/h1-8,13H;1H,(H2,6,7,8,9)
InChIKeyKEPNONSTPDJYLB-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.74
Rot. Bonds

About 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine

5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine (PubChem CID 159111962) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine
PubChem CID159111962
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine
SMILESO=c1[nH]cc(F)c(=O)[nH]1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C12H9NO.C4H3FN2O2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;5-2-1-6-4(9)7-3(2)8/h1-8,13H;1H,(H2,6,7,8,9)
InChIKeyKEPNONSTPDJYLB-UHFFFAOYSA-N
XLogP2.74
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine (CID 159111962) is 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine is O=c1[nH]cc(F)c(=O)[nH]1.c1ccc2c(c1)Nc1ccccc1O2.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine?
The InChIKey is KEPNONSTPDJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.C4H3FN2O2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;5-2-1-6-4(9)7-3(2)8/h1-8,13H;1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine?
5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine has a molecular weight of 313.29 g/mol, XLogP of 2.74, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine is sourced from PubChem (CID 159111962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).