1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one

C14H16FN3O — CID 16784522

IUPAC1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(N)c2ccccc2F)c(=O)n1
InChIInChI=1S/C14H16FN3O/c1-9-7-10(2)18(14(19)17-9)8-13(16)11-5-3-4-6-12(11)15/h3-7,13H,8,16H2,1-2H3
InChIKeyVWARKNWUUFHQIK-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 16784522) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID16784522
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(N)c2ccccc2F)c(=O)n1
InChIInChI=1S/C14H16FN3O/c1-9-7-10(2)18(14(19)17-9)8-13(16)11-5-3-4-6-12(11)15/h3-7,13H,8,16H2,1-2H3
InChIKeyVWARKNWUUFHQIK-UHFFFAOYSA-N
XLogP1.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one (CID 16784522) is 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(N)c2ccccc2F)c(=O)n1.
What is the InChIKey of 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is VWARKNWUUFHQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-7-10(2)18(14(19)17-9)8-13(16)11-5-3-4-6-12(11)15/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 261.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 16784522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).