6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine

C12H16BrN3O — CID 116503183

IUPAC6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOCC(C)c1nc2cc(C)c(Br)cn2c1N
InChIInChI=1S/C12H16BrN3O/c1-7-4-10-15-11(8(2)6-17-3)12(14)16(10)5-9(7)13/h4-5,8H,6,14H2,1-3H3
InChIKeyPIFBBVWEMXEUTI-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.74
Rot. Bonds3

About 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine

6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 116503183) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID116503183
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOCC(C)c1nc2cc(C)c(Br)cn2c1N
InChIInChI=1S/C12H16BrN3O/c1-7-4-10-15-11(8(2)6-17-3)12(14)16(10)5-9(7)13/h4-5,8H,6,14H2,1-3H3
InChIKeyPIFBBVWEMXEUTI-UHFFFAOYSA-N
XLogP2.74
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine (CID 116503183) is 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine is COCC(C)c1nc2cc(C)c(Br)cn2c1N.
What is the InChIKey of 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is PIFBBVWEMXEUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-7-4-10-15-11(8(2)6-17-3)12(14)16(10)5-9(7)13/h4-5,8H,6,14H2,1-3H3.
What are the key properties of 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 298.18 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-methoxypropan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 116503183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).