1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one

C11H10FN3O — CID 63331024

IUPAC1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one
SMILESNc1cccc(F)c1Cn1cccnc1=O
InChIInChI=1S/C11H10FN3O/c12-9-3-1-4-10(13)8(9)7-15-6-2-5-14-11(15)16/h1-6H,7,13H2
InChIKeyBATSHWWGAGFVPG-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.01
Rot. Bonds2

About 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one

1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one (PubChem CID 63331024) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one
PubChem CID63331024
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one
SMILESNc1cccc(F)c1Cn1cccnc1=O
InChIInChI=1S/C11H10FN3O/c12-9-3-1-4-10(13)8(9)7-15-6-2-5-14-11(15)16/h1-6H,7,13H2
InChIKeyBATSHWWGAGFVPG-UHFFFAOYSA-N
XLogP1.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one (CID 63331024) is 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one is Nc1cccc(F)c1Cn1cccnc1=O.
What is the InChIKey of 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one?
The InChIKey is BATSHWWGAGFVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-3-1-4-10(13)8(9)7-15-6-2-5-14-11(15)16/h1-6H,7,13H2.
What are the key properties of 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one?
1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one has a molecular weight of 219.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-fluorophenyl)methyl]pyrimidin-2-one is sourced from PubChem (CID 63331024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).