2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

C18H24N4O2 — CID 87011453

IUPAC2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H24N4O2/c1-23-17-5-3-2-4-16(17)6-7-19-12-15-13-20-18(21-14-15)22-8-10-24-11-9-22/h2-5,13-14,19H,6-12H2,1H3
InChIKeySPKRSTQZJJRHEQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.65
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 87011453) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID87011453
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H24N4O2/c1-23-17-5-3-2-4-16(17)6-7-19-12-15-13-20-18(21-14-15)22-8-10-24-11-9-22/h2-5,13-14,19H,6-12H2,1H3
InChIKeySPKRSTQZJJRHEQ-UHFFFAOYSA-N
XLogP1.65
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011465
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 95575472
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (CID 87011453) is 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is COc1ccccc1CCNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is SPKRSTQZJJRHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-17-5-3-2-4-16(17)6-7-19-12-15-13-20-18(21-14-15)22-8-10-24-11-9-22/h2-5,13-14,19H,6-12H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 328.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 87011453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).