2-imidazo[1,5-a]pyrimidin-6-ylethanamine

C8H10N4 — CID 105431897

IUPAC2-imidazo[1,5-a]pyrimidin-6-ylethanamine
SMILESNCCc1ncc2ncccn12
InChIInChI=1S/C8H10N4/c9-3-2-7-11-6-8-10-4-1-5-12(7)8/h1,4-6H,2-3,9H2
InChIKeyPHSLAOZFQPGXQT-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.23
Rot. Bonds2

About 2-imidazo[1,5-a]pyrimidin-6-ylethanamine

2-imidazo[1,5-a]pyrimidin-6-ylethanamine (PubChem CID 105431897) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-imidazo[1,5-a]pyrimidin-6-ylethanamine.

Molecular Properties

Compound Name2-imidazo[1,5-a]pyrimidin-6-ylethanamine
PubChem CID105431897
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-imidazo[1,5-a]pyrimidin-6-ylethanamine
SMILESNCCc1ncc2ncccn12
InChIInChI=1S/C8H10N4/c9-3-2-7-11-6-8-10-4-1-5-12(7)8/h1,4-6H,2-3,9H2
InChIKeyPHSLAOZFQPGXQT-UHFFFAOYSA-N
XLogP0.23
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,5-a]pyrimidin-6-ylethanamine?
The IUPAC name of 2-imidazo[1,5-a]pyrimidin-6-ylethanamine (CID 105431897) is 2-imidazo[1,5-a]pyrimidin-6-ylethanamine.
What is the SMILES notation for 2-imidazo[1,5-a]pyrimidin-6-ylethanamine?
The canonical SMILES for 2-imidazo[1,5-a]pyrimidin-6-ylethanamine is NCCc1ncc2ncccn12.
What is the InChIKey of 2-imidazo[1,5-a]pyrimidin-6-ylethanamine?
The InChIKey is PHSLAOZFQPGXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-3-2-7-11-6-8-10-4-1-5-12(7)8/h1,4-6H,2-3,9H2.
What are the key properties of 2-imidazo[1,5-a]pyrimidin-6-ylethanamine?
2-imidazo[1,5-a]pyrimidin-6-ylethanamine has a molecular weight of 162.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,5-a]pyrimidin-6-ylethanamine is sourced from PubChem (CID 105431897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).