4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine

C17H19F2N3O — CID 95922903

IUPAC4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)nc(OCc2cc(F)ccc2F)c1C
InChIInChI=1S/C17H19F2N3O/c1-11-12(2)20-17(22-7-3-4-8-22)21-16(11)23-10-13-9-14(18)5-6-15(13)19/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyILUZPBWASWYWTM-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.55
Rot. Bonds4

About 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine

4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 95922903) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID95922903
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)nc(OCc2cc(F)ccc2F)c1C
InChIInChI=1S/C17H19F2N3O/c1-11-12(2)20-17(22-7-3-4-8-22)21-16(11)23-10-13-9-14(18)5-6-15(13)19/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyILUZPBWASWYWTM-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine 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-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine (CID 95922903) is 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine is Cc1nc(N2CCCC2)nc(OCc2cc(F)ccc2F)c1C.
What is the InChIKey of 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is ILUZPBWASWYWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-11-12(2)20-17(22-7-3-4-8-22)21-16(11)23-10-13-9-14(18)5-6-15(13)19/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine?
4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 319.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methoxy]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 95922903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).