4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one

C14H15F2N3O — CID 135846115

IUPAC4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCC(c1cc(=O)[nH]c(N(C)C)n1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-8(13-9(15)5-4-6-10(13)16)11-7-12(20)18-14(17-11)19(2)3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyPUYQPQMTHBTYJT-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.27
Rot. Bonds3

About 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one

4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 135846115) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID135846115
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCC(c1cc(=O)[nH]c(N(C)C)n1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-8(13-9(15)5-4-6-10(13)16)11-7-12(20)18-14(17-11)19(2)3/h4-8H,1-3H3,(H,17,18,20)
InChIKeyPUYQPQMTHBTYJT-UHFFFAOYSA-N
XLogP2.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one (CID 135846115) is 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one is CC(c1cc(=O)[nH]c(N(C)C)n1)c1c(F)cccc1F.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is PUYQPQMTHBTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-8(13-9(15)5-4-6-10(13)16)11-7-12(20)18-14(17-11)19(2)3/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 279.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135846115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).