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

C12H18N4 — CID 79288094

IUPAC7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCCC(C)(C)n1c(N)nc2c(C)ccnc21
InChIInChI=1S/C12H18N4/c1-5-12(3,4)16-10-9(15-11(16)13)8(2)6-7-14-10/h6-7H,5H2,1-4H3,(H2,13,15)
InChIKeyCBBYXTWBLBQQGI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.47
Rot. Bonds2

About 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine

7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79288094) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79288094
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCCC(C)(C)n1c(N)nc2c(C)ccnc21
InChIInChI=1S/C12H18N4/c1-5-12(3,4)16-10-9(15-11(16)13)8(2)6-7-14-10/h6-7H,5H2,1-4H3,(H2,13,15)
InChIKeyCBBYXTWBLBQQGI-UHFFFAOYSA-N
XLogP2.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine (CID 79288094) is 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine is CCC(C)(C)n1c(N)nc2c(C)ccnc21.
What is the InChIKey of 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is CBBYXTWBLBQQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-12(3,4)16-10-9(15-11(16)13)8(2)6-7-14-10/h6-7H,5H2,1-4H3,(H2,13,15).
What are the key properties of 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).