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

C12H12FN3O2 — CID 132587873

IUPAC5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(NCc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c1-7-15-11(17)10(12(18)16-7)14-6-8-2-4-9(13)5-3-8/h2-5,14H,6H2,1H3,(H2,15,16,17,18)
InChIKeyCVTKEXZLSZFEIU-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.54
Rot. Bonds3

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

5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 132587873) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID132587873
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(NCc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c1-7-15-11(17)10(12(18)16-7)14-6-8-2-4-9(13)5-3-8/h2-5,14H,6H2,1H3,(H2,15,16,17,18)
InChIKeyCVTKEXZLSZFEIU-UHFFFAOYSA-N
XLogP1.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 132587873) is 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(NCc2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CVTKEXZLSZFEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-15-11(17)10(12(18)16-7)14-6-8-2-4-9(13)5-3-8/h2-5,14H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 249.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 132587873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).