5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine

C15H20N4O — CID 102536210

IUPAC5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(CNCCc2ccccc2OC)cn1
InChIInChI=1S/C15H20N4O/c1-16-15-18-10-12(11-19-15)9-17-8-7-13-5-3-4-6-14(13)20-2/h3-6,10-11,17H,7-9H2,1-2H3,(H,16,18,19)
InChIKeyXJYLBBYQKCCALB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.86
Rot. Bonds7

About 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine

5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine (PubChem CID 102536210) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
PubChem CID102536210
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(CNCCc2ccccc2OC)cn1
InChIInChI=1S/C15H20N4O/c1-16-15-18-10-12(11-19-15)9-17-8-7-13-5-3-4-6-14(13)20-2/h3-6,10-11,17H,7-9H2,1-2H3,(H,16,18,19)
InChIKeyXJYLBBYQKCCALB-UHFFFAOYSA-N
XLogP1.86
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011453
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207419
N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207330
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 47009079
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207350
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 103953076

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine (CID 102536210) is 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine is CNc1ncc(CNCCc2ccccc2OC)cn1.
What is the InChIKey of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine?
The InChIKey is XJYLBBYQKCCALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-15-18-10-12(11-19-15)9-17-8-7-13-5-3-4-6-14(13)20-2/h3-6,10-11,17H,7-9H2,1-2H3,(H,16,18,19).
What are the key properties of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine?
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 102536210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).