2-(2H-pyrimidin-1-yl)ethanamine

C6H11N3 — CID 22639610

IUPAC2-(2H-pyrimidin-1-yl)ethanamine
SMILESNCCN1C=CC=NC1
InChIInChI=1S/C6H11N3/c7-2-5-9-4-1-3-8-6-9/h1,3-4H,2,5-7H2
InChIKeyVJESLLNEIHGHKX-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.20
Rot. Bonds2

About 2-(2H-pyrimidin-1-yl)ethanamine

2-(2H-pyrimidin-1-yl)ethanamine (PubChem CID 22639610) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2H-pyrimidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2H-pyrimidin-1-yl)ethanamine
PubChem CID22639610
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(2H-pyrimidin-1-yl)ethanamine
SMILESNCCN1C=CC=NC1
InChIInChI=1S/C6H11N3/c7-2-5-9-4-1-3-8-6-9/h1,3-4H,2,5-7H2
InChIKeyVJESLLNEIHGHKX-UHFFFAOYSA-N
XLogP-0.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyrimidin-1-yl)ethanamine?
The IUPAC name of 2-(2H-pyrimidin-1-yl)ethanamine (CID 22639610) is 2-(2H-pyrimidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2H-pyrimidin-1-yl)ethanamine?
The canonical SMILES for 2-(2H-pyrimidin-1-yl)ethanamine is NCCN1C=CC=NC1.
What is the InChIKey of 2-(2H-pyrimidin-1-yl)ethanamine?
The InChIKey is VJESLLNEIHGHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-2-5-9-4-1-3-8-6-9/h1,3-4H,2,5-7H2.
What are the key properties of 2-(2H-pyrimidin-1-yl)ethanamine?
2-(2H-pyrimidin-1-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyrimidin-1-yl)ethanamine is sourced from PubChem (CID 22639610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).