2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine

C16H21N3O2 — CID 116778851

IUPAC2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C(OC)c2ccccc2)nc1
InChIInChI=1S/C16H21N3O2/c1-20-9-8-17-10-13-11-18-16(19-12-13)15(21-2)14-6-4-3-5-7-14/h3-7,11-12,15,17H,8-10H2,1-2H3
InChIKeyAOFPUMOOMMNDFA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.95
Rot. Bonds8

About 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine

2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine (PubChem CID 116778851) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
PubChem CID116778851
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C(OC)c2ccccc2)nc1
InChIInChI=1S/C16H21N3O2/c1-20-9-8-17-10-13-11-18-16(19-12-13)15(21-2)14-6-4-3-5-7-14/h3-7,11-12,15,17H,8-10H2,1-2H3
InChIKeyAOFPUMOOMMNDFA-UHFFFAOYSA-N
XLogP1.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62755352
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-[(6-benzylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methoxyethanamine
CID 80628187
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
2-methoxy-N-[[2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-yl]methyl]ethanamine
CID 107761526
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine (CID 116778851) is 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine is COCCNCc1cnc(C(OC)c2ccccc2)nc1.
What is the InChIKey of 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is AOFPUMOOMMNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-9-8-17-10-13-11-18-16(19-12-13)15(21-2)14-6-4-3-5-7-14/h3-7,11-12,15,17H,8-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 116778851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).