2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol

C15H19N3O2 — CID 60960431

IUPAC2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
SMILESCCOc1cc(CNCc2ccnc(C)n2)ccc1O
InChIInChI=1S/C15H19N3O2/c1-3-20-15-8-12(4-5-14(15)19)9-16-10-13-6-7-17-11(2)18-13/h4-8,16,19H,3,9-10H2,1-2H3
InChIKeyUXDJEDBFEJUNTG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.18
Rot. Bonds6

About 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol

2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol (PubChem CID 60960431) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
PubChem CID60960431
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
SMILESCCOc1cc(CNCc2ccnc(C)n2)ccc1O
InChIInChI=1S/C15H19N3O2/c1-3-20-15-8-12(4-5-14(15)19)9-16-10-13-6-7-17-11(2)18-13/h4-8,16,19H,3,9-10H2,1-2H3
InChIKeyUXDJEDBFEJUNTG-UHFFFAOYSA-N
XLogP2.18
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 106816664
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 56781467
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232
2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 106413823
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
CID 60960957

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol (CID 60960431) is 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol is CCOc1cc(CNCc2ccnc(C)n2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol?
The InChIKey is UXDJEDBFEJUNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-15-8-12(4-5-14(15)19)9-16-10-13-6-7-17-11(2)18-13/h4-8,16,19H,3,9-10H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol?
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol has a molecular weight of 273.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 60960431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).