3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one

C14H16FN3O — CID 107522652

IUPAC3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C14H16FN3O/c1-9-7-14(19)18(10(2)17-9)8-13(16)11-3-5-12(15)6-4-11/h3-7,13H,8,16H2,1-2H3
InChIKeyYFHBTMBBSSQWBQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.70
Rot. Bonds3

About 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 107522652) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID107522652
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C14H16FN3O/c1-9-7-14(19)18(10(2)17-9)8-13(16)11-3-5-12(15)6-4-11/h3-7,13H,8,16H2,1-2H3
InChIKeyYFHBTMBBSSQWBQ-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 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one (CID 107522652) is 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(N)c2ccc(F)cc2)c(C)n1.
What is the InChIKey of 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is YFHBTMBBSSQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-7-14(19)18(10(2)17-9)8-13(16)11-3-5-12(15)6-4-11/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-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 3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 107522652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).