1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one

C12H11F2N3O — CID 16783356

IUPAC1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one
SMILESNC(Cn1cccnc1=O)c1c(F)cccc1F
InChIInChI=1S/C12H11F2N3O/c13-8-3-1-4-9(14)11(8)10(15)7-17-6-2-5-16-12(17)18/h1-6,10H,7,15H2
InChIKeyNBEYUDOHOTUDPU-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.22
Rot. Bonds3

About 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one

1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one (PubChem CID 16783356) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one
PubChem CID16783356
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one
SMILESNC(Cn1cccnc1=O)c1c(F)cccc1F
InChIInChI=1S/C12H11F2N3O/c13-8-3-1-4-9(14)11(8)10(15)7-17-6-2-5-16-12(17)18/h1-6,10H,7,15H2
InChIKeyNBEYUDOHOTUDPU-UHFFFAOYSA-N
XLogP1.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.22
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-(2,6-difluorophenyl)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one (CID 16783356) is 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one is NC(Cn1cccnc1=O)c1c(F)cccc1F.
What is the InChIKey of 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one?
The InChIKey is NBEYUDOHOTUDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-8-3-1-4-9(14)11(8)10(15)7-17-6-2-5-16-12(17)18/h1-6,10H,7,15H2.
What are the key properties of 1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one?
1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one has a molecular weight of 251.24 g/mol, XLogP of 1.22, 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-(2,6-difluorophenyl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 16783356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).