2-pyrimidin-5-ylethanamine

C6H9N3 — CID 27281450

IUPAC2-pyrimidin-5-ylethanamine
SMILESNCCc1cncnc1
InChIInChI=1S/C6H9N3/c7-2-1-6-3-8-5-9-4-6/h3-5H,1-2,7H2
InChIKeyKZDUEURFEGZGOO-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.02
Rot. Bonds2

About 2-pyrimidin-5-ylethanamine

2-pyrimidin-5-ylethanamine (PubChem CID 27281450) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-pyrimidin-5-ylethanamine
PubChem CID27281450
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-pyrimidin-5-ylethanamine
SMILESNCCc1cncnc1
InChIInChI=1S/C6H9N3/c7-2-1-6-3-8-5-9-4-6/h3-5H,1-2,7H2
InChIKeyKZDUEURFEGZGOO-UHFFFAOYSA-N
XLogP-0.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylethanamine?
The IUPAC name of 2-pyrimidin-5-ylethanamine (CID 27281450) is 2-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-pyrimidin-5-ylethanamine is NCCc1cncnc1.
What is the InChIKey of 2-pyrimidin-5-ylethanamine?
The InChIKey is KZDUEURFEGZGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-2-1-6-3-8-5-9-4-6/h3-5H,1-2,7H2.
What are the key properties of 2-pyrimidin-5-ylethanamine?
2-pyrimidin-5-ylethanamine has a molecular weight of 123.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylethanamine is sourced from PubChem (CID 27281450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).