5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol

C15H19N3O2 — CID 61015857

IUPAC5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCc2ccnc(C)n2)c(O)c1
InChIInChI=1S/C15H19N3O2/c1-10(14-5-4-13(20-3)8-15(14)19)17-9-12-6-7-16-11(2)18-12/h4-8,10,17,19H,9H2,1-3H3
InChIKeyPNOLCWAICKTUKJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.35
Rot. Bonds5

About 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol

5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol (PubChem CID 61015857) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol
PubChem CID61015857
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCc2ccnc(C)n2)c(O)c1
InChIInChI=1S/C15H19N3O2/c1-10(14-5-4-13(20-3)8-15(14)19)17-9-12-6-7-16-11(2)18-12/h4-8,10,17,19H,9H2,1-3H3
InChIKeyPNOLCWAICKTUKJ-UHFFFAOYSA-N
XLogP2.35
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
4-methyl-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol
CID 54902017
5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
CID 106370137
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
CID 64682826
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol (CID 61015857) is 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol is COc1ccc(C(C)NCc2ccnc(C)n2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol?
The InChIKey is PNOLCWAICKTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(14-5-4-13(20-3)8-15(14)19)17-9-12-6-7-16-11(2)18-12/h4-8,10,17,19H,9H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol?
5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol has a molecular weight of 273.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 61015857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).