5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one

C10H8FN3O2 — CID 71303466

IUPAC5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Nc1ccccc1F
InChIInChI=1S/C10H8FN3O2/c11-6-3-1-2-4-7(6)14-8-9(15)12-5-13-10(8)16/h1-5,14H,(H2,12,13,15,16)
InChIKeyBDGIOTIIRPBXFI-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.36
Rot. Bonds2

About 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one

5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 71303466) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID71303466
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Nc1ccccc1F
InChIInChI=1S/C10H8FN3O2/c11-6-3-1-2-4-7(6)14-8-9(15)12-5-13-10(8)16/h1-5,14H,(H2,12,13,15,16)
InChIKeyBDGIOTIIRPBXFI-UHFFFAOYSA-N
XLogP1.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one (CID 71303466) is 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1Nc1ccccc1F.
What is the InChIKey of 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BDGIOTIIRPBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-6-3-1-2-4-7(6)14-8-9(15)12-5-13-10(8)16/h1-5,14H,(H2,12,13,15,16).
What are the key properties of 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one?
5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 221.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 71303466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).