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

C16H21N3O — CID 62755354

IUPAC2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CCc2ccccc2)nc1
InChIInChI=1S/C16H21N3O/c1-20-10-9-17-11-15-12-18-16(19-13-15)8-7-14-5-3-2-4-6-14/h2-6,12-13,17H,7-11H2,1H3
InChIKeyFWGBBDAHSCLFAX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.00
Rot. Bonds8

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

2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 62755354) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID62755354
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CCc2ccccc2)nc1
InChIInChI=1S/C16H21N3O/c1-20-10-9-17-11-15-12-18-16(19-13-15)8-7-14-5-3-2-4-6-14/h2-6,12-13,17H,7-11H2,1H3
InChIKeyFWGBBDAHSCLFAX-UHFFFAOYSA-N
XLogP2.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
CID 116778851
2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755886
N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62755352
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-[(6-benzylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methoxyethanamine
CID 80628187
2-methoxy-N-[[1-(4-phenylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 114334601
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine (CID 62755354) is 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine is COCCNCc1cnc(CCc2ccccc2)nc1.
What is the InChIKey of 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is FWGBBDAHSCLFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-10-9-17-11-15-12-18-16(19-13-15)8-7-14-5-3-2-4-6-14/h2-6,12-13,17H,7-11H2,1H3.
What are the key properties of 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 62755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).