imidazo[1,5-a]pyrimidin-6-amine

C6H6N4 — CID 69460100

IUPACimidazo[1,5-a]pyrimidin-6-amine
SMILESNc1ncc2ncccn12
InChIInChI=1S/C6H6N4/c7-6-9-4-5-8-2-1-3-10(5)6/h1-4H,(H2,7,9)
InChIKeyKWOOYJCUNPJJPT-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.31
Rot. Bonds

About imidazo[1,5-a]pyrimidin-6-amine

imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 69460100) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Nameimidazo[1,5-a]pyrimidin-6-amine
PubChem CID69460100
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Nameimidazo[1,5-a]pyrimidin-6-amine
SMILESNc1ncc2ncccn12
InChIInChI=1S/C6H6N4/c7-6-9-4-5-8-2-1-3-10(5)6/h1-4H,(H2,7,9)
InChIKeyKWOOYJCUNPJJPT-UHFFFAOYSA-N
XLogP0.31
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of imidazo[1,5-a]pyrimidin-6-amine (CID 69460100) is imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for imidazo[1,5-a]pyrimidin-6-amine is Nc1ncc2ncccn12.
What is the InChIKey of imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is KWOOYJCUNPJJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-6-9-4-5-8-2-1-3-10(5)6/h1-4H,(H2,7,9).
What are the key properties of imidazo[1,5-a]pyrimidin-6-amine?
imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 134.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 69460100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).