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

C12H12FN3O2 — CID 79439671

IUPAC2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(N)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c1-6(14)10-15-11(17)9(12(18)16-10)7-4-2-3-5-8(7)13/h2-6H,14H2,1H3,(H2,15,16,17,18)
InChIKeyZLHZOZIAQNBJAV-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.30
Rot. Bonds2

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

2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439671) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439671
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(N)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c1-6(14)10-15-11(17)9(12(18)16-10)7-4-2-3-5-8(7)13/h2-6H,14H2,1H3,(H2,15,16,17,18)
InChIKeyZLHZOZIAQNBJAV-UHFFFAOYSA-N
XLogP1.30
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79439671) is 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CC(N)c1nc(O)c(-c2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZLHZOZIAQNBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-6(14)10-15-11(17)9(12(18)16-10)7-4-2-3-5-8(7)13/h2-6H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 249.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).