2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline

C13H15N3O — CID 62699918

IUPAC2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
SMILESCOCc1ccccc1NCc1ncccn1
InChIInChI=1S/C13H15N3O/c1-17-10-11-5-2-3-6-12(11)16-9-13-14-7-4-8-15-13/h2-8,16H,9-10H2,1H3
InChIKeyXBRLQEPEXHZPJI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.24
Rot. Bonds5

About 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline

2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 62699918) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID62699918
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
SMILESCOCc1ccccc1NCc1ncccn1
InChIInChI=1S/C13H15N3O/c1-17-10-11-5-2-3-6-12(11)16-9-13-14-7-4-8-15-13/h2-8,16H,9-10H2,1H3
InChIKeyXBRLQEPEXHZPJI-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline (CID 62699918) is 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline is COCc1ccccc1NCc1ncccn1.
What is the InChIKey of 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is XBRLQEPEXHZPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-10-11-5-2-3-6-12(11)16-9-13-14-7-4-8-15-13/h2-8,16H,9-10H2,1H3.
What are the key properties of 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline?
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 229.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 62699918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).