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

C14H17N3O — CID 60955129

IUPAC2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
SMILESCOCCNCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H17N3O/c1-18-8-7-15-9-12-10-16-14(17-11-12)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9H2,1H3
InChIKeyVEXNFEZEZHHZFR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds6

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

2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 60955129) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
PubChem CID60955129
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
SMILESCOCCNCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H17N3O/c1-18-8-7-15-9-12-10-16-14(17-11-12)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9H2,1H3
InChIKeyVEXNFEZEZHHZFR-UHFFFAOYSA-N
XLogP1.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
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

N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389
N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62755352
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
CID 132893916
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
CID 116778851
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine (CID 60955129) is 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine is COCCNCc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is VEXNFEZEZHHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-8-7-15-9-12-10-16-14(17-11-12)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9H2,1H3.
What are the key properties of 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine?
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 60955129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).