2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol

C17H23N3O3 — CID 51086959

IUPAC2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
SMILESCOc1cc(C(C)Nc2cc(C)nc(C)n2)ccc1OCCO
InChIInChI=1S/C17H23N3O3/c1-11-9-17(20-13(3)18-11)19-12(2)14-5-6-15(23-8-7-21)16(10-14)22-4/h5-6,9-10,12,21H,7-8H2,1-4H3,(H,18,19,20)
InChIKeyVKNIGBFIQCIJBF-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.65
Rot. Bonds7

About 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol

2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol (PubChem CID 51086959) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
PubChem CID51086959
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
SMILESCOc1cc(C(C)Nc2cc(C)nc(C)n2)ccc1OCCO
InChIInChI=1S/C17H23N3O3/c1-11-9-17(20-13(3)18-11)19-12(2)14-5-6-15(23-8-7-21)16(10-14)22-4/h5-6,9-10,12,21H,7-8H2,1-4H3,(H,18,19,20)
InChIKeyVKNIGBFIQCIJBF-UHFFFAOYSA-N
XLogP2.65
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
CID 110908334
2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829206
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
3-fluoro-4-[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]benzonitrile
CID 94824324
2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829205
2-[2-methoxy-4-[(1S)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 95331813
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine
CID 133292932
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
CID 110928652
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol?
The IUPAC name of 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol (CID 51086959) is 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol is COc1cc(C(C)Nc2cc(C)nc(C)n2)ccc1OCCO.
What is the InChIKey of 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol?
The InChIKey is VKNIGBFIQCIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-9-17(20-13(3)18-11)19-12(2)14-5-6-15(23-8-7-21)16(10-14)22-4/h5-6,9-10,12,21H,7-8H2,1-4H3,(H,18,19,20).
What are the key properties of 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol?
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol has a molecular weight of 317.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol is sourced from PubChem (CID 51086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).