5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one

C14H9FN4O2 — CID 79430735

IUPAC5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cnccn2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN4O2/c15-9-3-1-8(2-4-9)11-13(20)18-12(19-14(11)21)10-7-16-5-6-17-10/h1-7H,(H2,18,19,20,21)
InChIKeyIXKGODHGLOULHA-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.74
Rot. Bonds2

About 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one

5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one (PubChem CID 79430735) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one
PubChem CID79430735
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cnccn2)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN4O2/c15-9-3-1-8(2-4-9)11-13(20)18-12(19-14(11)21)10-7-16-5-6-17-10/h1-7H,(H2,18,19,20,21)
InChIKeyIXKGODHGLOULHA-UHFFFAOYSA-N
XLogP1.74
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one (CID 79430735) is 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2cnccn2)nc(O)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The InChIKey is IXKGODHGLOULHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c15-9-3-1-8(2-4-9)11-13(20)18-12(19-14(11)21)10-7-16-5-6-17-10/h1-7H,(H2,18,19,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one?
5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one has a molecular weight of 284.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79430735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).