2-(5-phenylpyrimidin-2-yl)ethanamine

C12H13N3 — CID 63317648

IUPAC2-(5-phenylpyrimidin-2-yl)ethanamine
SMILESNCCc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H13N3/c13-7-6-12-14-8-11(9-15-12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
InChIKeyGJJNQEMMCWKKML-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.64
Rot. Bonds3

About 2-(5-phenylpyrimidin-2-yl)ethanamine

2-(5-phenylpyrimidin-2-yl)ethanamine (PubChem CID 63317648) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(5-phenylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-phenylpyrimidin-2-yl)ethanamine
PubChem CID63317648
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(5-phenylpyrimidin-2-yl)ethanamine
SMILESNCCc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H13N3/c13-7-6-12-14-8-11(9-15-12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
InChIKeyGJJNQEMMCWKKML-UHFFFAOYSA-N
XLogP1.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-phenylpyrimidin-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylpyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(5-phenylpyrimidin-2-yl)ethanamine (CID 63317648) is 2-(5-phenylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-phenylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(5-phenylpyrimidin-2-yl)ethanamine is NCCc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-(5-phenylpyrimidin-2-yl)ethanamine?
The InChIKey is GJJNQEMMCWKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-7-6-12-14-8-11(9-15-12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2.
What are the key properties of 2-(5-phenylpyrimidin-2-yl)ethanamine?
2-(5-phenylpyrimidin-2-yl)ethanamine has a molecular weight of 199.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 63317648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).