4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine

C17H20FN3O — CID 126436064

IUPAC4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine
SMILESCCc1nc(N2CC(OCc3ccccc3F)C2)ncc1C
InChIInChI=1S/C17H20FN3O/c1-3-16-12(2)8-19-17(20-16)21-9-14(10-21)22-11-13-6-4-5-7-15(13)18/h4-8,14H,3,9-11H2,1-2H3
InChIKeyHBUJPFQPKDUUMJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.89
Rot. Bonds5

About 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine

4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine (PubChem CID 126436064) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine
PubChem CID126436064
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine
SMILESCCc1nc(N2CC(OCc3ccccc3F)C2)ncc1C
InChIInChI=1S/C17H20FN3O/c1-3-16-12(2)8-19-17(20-16)21-9-14(10-21)22-11-13-6-4-5-7-15(13)18/h4-8,14H,3,9-11H2,1-2H3
InChIKeyHBUJPFQPKDUUMJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

CID 56589672
CID 56589672
2-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798887
4-[(2-Ethyl-5-pyrimidinyl)methyl]-2-(3-fluorobenzyl)morpholine
CID 45197160
4-[5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
CID 56877170
2-(4-Fluorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
CID 56879557
5-(4-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
CID 66509687
5-(3-fluorophenyl)-N,N-dimethyl-4-morpholin-2-ylpyrimidin-2-amine
CID 66509696
1-[2-[2-(Dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 118740186
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798847
4-[1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethenyl]-5-fluoropyrimidine
CID 72736661
4-[(1S)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]-5-fluoropyrimidine
CID 72736662
2-[2-(Dimethylamino)-4-(4-fluorophenyl)pyrimidin-5-yl]-3-methoxy-6-methylpyran-4-one
CID 178270634

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine (CID 126436064) is 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine is CCc1nc(N2CC(OCc3ccccc3F)C2)ncc1C.
What is the InChIKey of 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine?
The InChIKey is HBUJPFQPKDUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-3-16-12(2)8-19-17(20-16)21-9-14(10-21)22-11-13-6-4-5-7-15(13)18/h4-8,14H,3,9-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine?
4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine has a molecular weight of 301.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 126436064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).