6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine

C12H16N4O — CID 79300760

IUPAC6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C1CCOCC1
InChIInChI=1S/C12H16N4O/c1-8-6-10-11(14-7-8)16(12(13)15-10)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H2,13,15)
InChIKeyMXSGCVHYVWTUKR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.67
Rot. Bonds1

About 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine

6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79300760) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79300760
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C1CCOCC1
InChIInChI=1S/C12H16N4O/c1-8-6-10-11(14-7-8)16(12(13)15-10)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H2,13,15)
InChIKeyMXSGCVHYVWTUKR-UHFFFAOYSA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 79300760) is 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2C1CCOCC1.
What is the InChIKey of 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is MXSGCVHYVWTUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-6-10-11(14-7-8)16(12(13)15-10)9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H2,13,15).
What are the key properties of 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine?
6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79300760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).