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

C11H10BrN3 — CID 62699905

IUPAC2-bromo-N-(pyrimidin-2-ylmethyl)aniline
SMILESBrc1ccccc1NCc1ncccn1
InChIInChI=1S/C11H10BrN3/c12-9-4-1-2-5-10(9)15-8-11-13-6-3-7-14-11/h1-7,15H,8H2
InChIKeyIBWXGQQCXMVIMX-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.85
Rot. Bonds3

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

2-bromo-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 62699905) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-bromo-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID62699905
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name2-bromo-N-(pyrimidin-2-ylmethyl)aniline
SMILESBrc1ccccc1NCc1ncccn1
InChIInChI=1S/C11H10BrN3/c12-9-4-1-2-5-10(9)15-8-11-13-6-3-7-14-11/h1-7,15H,8H2
InChIKeyIBWXGQQCXMVIMX-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 2-bromo-N-(pyrimidin-2-ylmethyl)aniline (CID 62699905) is 2-bromo-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 2-bromo-N-(pyrimidin-2-ylmethyl)aniline is Brc1ccccc1NCc1ncccn1.
What is the InChIKey of 2-bromo-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is IBWXGQQCXMVIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-9-4-1-2-5-10(9)15-8-11-13-6-3-7-14-11/h1-7,15H,8H2.
What are the key properties of 2-bromo-N-(pyrimidin-2-ylmethyl)aniline?
2-bromo-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 264.13 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 62699905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).