2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

C18H24N4O3 — CID 87011465

IUPAC2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCOc1cccc(OCCNCc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C18H24N4O3/c1-23-16-3-2-4-17(11-16)25-8-5-19-12-15-13-20-18(21-14-15)22-6-9-24-10-7-22/h2-4,11,13-14,19H,5-10,12H2,1H3
InChIKeyYVUUOPSKHJGWCA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.49
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 87011465) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID87011465
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCOc1cccc(OCCNCc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C18H24N4O3/c1-23-16-3-2-4-17(11-16)25-8-5-19-12-15-13-20-18(21-14-15)22-6-9-24-10-7-22/h2-4,11,13-14,19H,5-10,12H2,1H3
InChIKeyYVUUOPSKHJGWCA-UHFFFAOYSA-N
XLogP1.49
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011453
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 119110429
(2S)-1-[2-methoxy-4-[(2-phenoxyethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29027193
N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
CID 3108299
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030468

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (CID 87011465) is 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is COc1cccc(OCCNCc2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is YVUUOPSKHJGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-23-16-3-2-4-17(11-16)25-8-5-19-12-15-13-20-18(21-14-15)22-6-9-24-10-7-22/h2-4,11,13-14,19H,5-10,12H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 344.42 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 87011465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).