4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine

C17H19F2N3O — CID 110115989

IUPAC4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
SMILESCc1cc(C2CN(Cc3cccc(F)c3F)CCO2)nc(C)n1
InChIInChI=1S/C17H19F2N3O/c1-11-8-15(21-12(2)20-11)16-10-22(6-7-23-16)9-13-4-3-5-14(18)17(13)19/h3-5,8,16H,6-7,9-10H2,1-2H3
InChIKeyPKVZGPJNCISSHR-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.95
Rot. Bonds3

About 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine

4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine (PubChem CID 110115989) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
PubChem CID110115989
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
SMILESCc1cc(C2CN(Cc3cccc(F)c3F)CCO2)nc(C)n1
InChIInChI=1S/C17H19F2N3O/c1-11-8-15(21-12(2)20-11)16-10-22(6-7-23-16)9-13-4-3-5-14(18)17(13)19/h3-5,8,16H,6-7,9-10H2,1-2H3
InChIKeyPKVZGPJNCISSHR-UHFFFAOYSA-N
XLogP2.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine 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-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine (CID 110115989) is 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine is Cc1cc(C2CN(Cc3cccc(F)c3F)CCO2)nc(C)n1.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
The InChIKey is PKVZGPJNCISSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-11-8-15(21-12(2)20-11)16-10-22(6-7-23-16)9-13-4-3-5-14(18)17(13)19/h3-5,8,16H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine has a molecular weight of 319.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 110115989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).