3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline

C15H19N3O2 — CID 62759745

IUPAC3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
SMILESCOCCOCc1cccc(NCc2cncnc2)c1
InChIInChI=1S/C15H19N3O2/c1-19-5-6-20-11-13-3-2-4-15(7-13)18-10-14-8-16-12-17-9-14/h2-4,7-9,12,18H,5-6,10-11H2,1H3
InChIKeyFIHRREXXJJDFDZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.25
Rot. Bonds8

About 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline

3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline (PubChem CID 62759745) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
PubChem CID62759745
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
SMILESCOCCOCc1cccc(NCc2cncnc2)c1
InChIInChI=1S/C15H19N3O2/c1-19-5-6-20-11-13-3-2-4-15(7-13)18-10-14-8-16-12-17-9-14/h2-4,7-9,12,18H,5-6,10-11H2,1H3
InChIKeyFIHRREXXJJDFDZ-UHFFFAOYSA-N
XLogP2.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.25
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

3-(2-methoxyethoxymethyl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761310
3-(2-methoxyethoxymethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171806
methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
CID 55109608
methyl 3-(pyrimidin-5-ylmethylamino)benzoate
CID 62758580
N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
CID 107445342
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 55110274
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine
CID 115376077
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
3-[[3-(2-ethoxyethoxymethyl)anilino]methyl]benzoic acid
CID 122029521

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
The IUPAC name of 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline (CID 62759745) is 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline is COCCOCc1cccc(NCc2cncnc2)c1.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
The InChIKey is FIHRREXXJJDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-5-6-20-11-13-3-2-4-15(7-13)18-10-14-8-16-12-17-9-14/h2-4,7-9,12,18H,5-6,10-11H2,1H3.
What are the key properties of 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline has a molecular weight of 273.34 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline is sourced from PubChem (CID 62759745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).