2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine

C11H16N4 — CID 139442601

IUPAC2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine
SMILESCc1nc(N)n2ccc(C(C)(C)C)nc12
InChIInChI=1S/C11H16N4/c1-7-9-14-8(11(2,3)4)5-6-15(9)10(12)13-7/h5-6H,1-4H3,(H2,12,13)
InChIKeyZNKCERKEMYMUOV-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.92
Rot. Bonds

About 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine

2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 139442601) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine
PubChem CID139442601
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine
SMILESCc1nc(N)n2ccc(C(C)(C)C)nc12
InChIInChI=1S/C11H16N4/c1-7-9-14-8(11(2,3)4)5-6-15(9)10(12)13-7/h5-6H,1-4H3,(H2,12,13)
InChIKeyZNKCERKEMYMUOV-UHFFFAOYSA-N
XLogP1.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine (CID 139442601) is 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine is Cc1nc(N)n2ccc(C(C)(C)C)nc12.
What is the InChIKey of 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is ZNKCERKEMYMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7-9-14-8(11(2,3)4)5-6-15(9)10(12)13-7/h5-6H,1-4H3,(H2,12,13).
What are the key properties of 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine?
2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 204.28 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methylimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 139442601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).