2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline

C13H15N3O — CID 82474120

IUPAC2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
SMILESCc1ccnc(CCOc2ccccc2N)n1
InChIInChI=1S/C13H15N3O/c1-10-6-8-15-13(16-10)7-9-17-12-5-3-2-4-11(12)14/h2-6,8H,7,9,14H2,1H3
InChIKeyIQDHREZZCFXWOT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds4

About 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline

2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline (PubChem CID 82474120) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
PubChem CID82474120
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
SMILESCc1ccnc(CCOc2ccccc2N)n1
InChIInChI=1S/C13H15N3O/c1-10-6-8-15-13(16-10)7-9-17-12-5-3-2-4-11(12)14/h2-6,8H,7,9,14H2,1H3
InChIKeyIQDHREZZCFXWOT-UHFFFAOYSA-N
XLogP1.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
CID 82478565
2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82471035
2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475294
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82480085
6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine
CID 139995577
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-(methylsulfanylmethoxy)aniline
CID 71337574
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
CID 54915740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline (CID 82474120) is 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline is Cc1ccnc(CCOc2ccccc2N)n1.
What is the InChIKey of 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline?
The InChIKey is IQDHREZZCFXWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-6-8-15-13(16-10)7-9-17-12-5-3-2-4-11(12)14/h2-6,8H,7,9,14H2,1H3.
What are the key properties of 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline?
2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline has a molecular weight of 229.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline is sourced from PubChem (CID 82474120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).