3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine

C12H18N4O — CID 79301841

IUPAC3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCCC(COC)n1c(N)nc2cc(C)cnc21
InChIInChI=1S/C12H18N4O/c1-4-9(7-17-3)16-11-10(15-12(16)13)5-8(2)6-14-11/h5-6,9H,4,7H2,1-3H3,(H2,13,15)
InChIKeyYXJKMGGTWDBYJL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.92
Rot. Bonds4

About 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine

3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79301841) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79301841
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCCC(COC)n1c(N)nc2cc(C)cnc21
InChIInChI=1S/C12H18N4O/c1-4-9(7-17-3)16-11-10(15-12(16)13)5-8(2)6-14-11/h5-6,9H,4,7H2,1-3H3,(H2,13,15)
InChIKeyYXJKMGGTWDBYJL-UHFFFAOYSA-N
XLogP1.92
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-cyclopropylbutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301197
2-[3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79279621
6-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79301756
6-methyl-3-(6-methylheptan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79300973
3-[1-(dimethylamino)-4-methylpentan-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301405
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559
1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridin-2-amine
CID 79295990
6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
CID 79300915
6-methyl-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79301690
2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine
CID 79306285
3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142
6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79277756

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine (CID 79301841) is 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine is CCC(COC)n1c(N)nc2cc(C)cnc21.
What is the InChIKey of 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is YXJKMGGTWDBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-9(7-17-3)16-11-10(15-12(16)13)5-8(2)6-14-11/h5-6,9H,4,7H2,1-3H3,(H2,13,15).
What are the key properties of 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine?
3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79301841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).