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

C11H10FN3O2 — CID 79439347

IUPAC5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C11H10FN3O2/c1-13-11-14-9(16)8(10(17)15-11)6-4-2-3-5-7(6)12/h2-5H,1H3,(H3,13,14,15,16,17)
InChIKeyJBMYLBXHEZOEKO-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.32
Rot. Bonds2

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

5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 79439347) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID79439347
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C11H10FN3O2/c1-13-11-14-9(16)8(10(17)15-11)6-4-2-3-5-7(6)12/h2-5H,1H3,(H3,13,14,15,16,17)
InChIKeyJBMYLBXHEZOEKO-UHFFFAOYSA-N
XLogP1.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one (CID 79439347) is 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(O)c(-c2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is JBMYLBXHEZOEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-13-11-14-9(16)8(10(17)15-11)6-4-2-3-5-7(6)12/h2-5H,1H3,(H3,13,14,15,16,17).
What are the key properties of 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 235.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 79439347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).