3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine

C12H18N4 — CID 81138929

IUPAC3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(CC(C)(C)C)c2n1
InChIInChI=1S/C12H18N4/c1-8-5-6-9-10(14-8)16(11(13)15-9)7-12(2,3)4/h5-6H,7H2,1-4H3,(H2,13,15)
InChIKeyZOJQPNXWXLSKIE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.37
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine

3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81138929) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81138929
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(CC(C)(C)C)c2n1
InChIInChI=1S/C12H18N4/c1-8-5-6-9-10(14-8)16(11(13)15-9)7-12(2,3)4/h5-6H,7H2,1-4H3,(H2,13,15)
InChIKeyZOJQPNXWXLSKIE-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81138929) is 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(CC(C)(C)C)c2n1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is ZOJQPNXWXLSKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-5-6-9-10(14-8)16(11(13)15-9)7-12(2,3)4/h5-6H,7H2,1-4H3,(H2,13,15).
What are the key properties of 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81138929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).