2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline

C14H17N3O — CID 62759362

IUPAC2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
SMILESCCOCc1ccccc1NCc1cncnc1
InChIInChI=1S/C14H17N3O/c1-2-18-10-13-5-3-4-6-14(13)17-9-12-7-15-11-16-8-12/h3-8,11,17H,2,9-10H2,1H3
InChIKeyUSTXBWZWEADDHI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds6

About 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline

2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline (PubChem CID 62759362) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
PubChem CID62759362
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
SMILESCCOCc1ccccc1NCc1cncnc1
InChIInChI=1S/C14H17N3O/c1-2-18-10-13-5-3-4-6-14(13)17-9-12-7-15-11-16-8-12/h3-8,11,17H,2,9-10H2,1H3
InChIKeyUSTXBWZWEADDHI-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
CID 62759551
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
CID 43792111
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43750254
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
The IUPAC name of 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline (CID 62759362) is 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline is CCOCc1ccccc1NCc1cncnc1.
What is the InChIKey of 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
The InChIKey is USTXBWZWEADDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-10-13-5-3-4-6-14(13)17-9-12-7-15-11-16-8-12/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline?
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline has a molecular weight of 243.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline is sourced from PubChem (CID 62759362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).