N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine

C16H21FN4O — CID 75469574

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCN(C)CCOc1cccc(CN(C)c2ncc(F)cn2)c1
InChIInChI=1S/C16H21FN4O/c1-20(2)7-8-22-15-6-4-5-13(9-15)12-21(3)16-18-10-14(17)11-19-16/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyFKNZUWVFTZISHH-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.19
Rot. Bonds7

About N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 75469574) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID75469574
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCN(C)CCOc1cccc(CN(C)c2ncc(F)cn2)c1
InChIInChI=1S/C16H21FN4O/c1-20(2)7-8-22-15-6-4-5-13(9-15)12-21(3)16-18-10-14(17)11-19-16/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyFKNZUWVFTZISHH-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
N,N-dimethyl-3-[3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]propan-1-amine
CID 90762189
3-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]benzenecarboximidamide
CID 104606162
3-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111286314
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine (CID 75469574) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine is CN(C)CCOc1cccc(CN(C)c2ncc(F)cn2)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is FKNZUWVFTZISHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-20(2)7-8-22-15-6-4-5-13(9-15)12-21(3)16-18-10-14(17)11-19-16/h4-6,9-11H,7-8,12H2,1-3H3.
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 304.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 75469574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).