1-pyrimidin-5-ylethanamine

C6H9N3 — CID 18914288

IUPAC1-pyrimidin-5-ylethanamine
SMILESCC(N)c1cncnc1
InChIInChI=1S/C6H9N3/c1-5(7)6-2-8-4-9-3-6/h2-5H,7H2,1H3
InChIKeyGWCPZMRPJBYIFM-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.50
Rot. Bonds1

About 1-pyrimidin-5-ylethanamine

1-pyrimidin-5-ylethanamine (PubChem CID 18914288) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name1-pyrimidin-5-ylethanamine
PubChem CID18914288
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-pyrimidin-5-ylethanamine
SMILESCC(N)c1cncnc1
InChIInChI=1S/C6H9N3/c1-5(7)6-2-8-4-9-3-6/h2-5H,7H2,1H3
InChIKeyGWCPZMRPJBYIFM-UHFFFAOYSA-N
XLogP0.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pyrimidin-5-ylethanamine 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 1-pyrimidin-5-ylethanamine?
The IUPAC name of 1-pyrimidin-5-ylethanamine (CID 18914288) is 1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 1-pyrimidin-5-ylethanamine?
The canonical SMILES for 1-pyrimidin-5-ylethanamine is CC(N)c1cncnc1.
What is the InChIKey of 1-pyrimidin-5-ylethanamine?
The InChIKey is GWCPZMRPJBYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(7)6-2-8-4-9-3-6/h2-5H,7H2,1H3.
What are the key properties of 1-pyrimidin-5-ylethanamine?
1-pyrimidin-5-ylethanamine has a molecular weight of 123.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 18914288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).