3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine

C12H18N4 — CID 104828995

IUPAC3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(n1c(N)nc2cccnc21)C(C)(C)C
InChIInChI=1S/C12H18N4/c1-8(12(2,3)4)16-10-9(15-11(16)13)6-5-7-14-10/h5-8H,1-4H3,(H2,13,15)
InChIKeyPFXDRAGRKZOMBH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.62
Rot. Bonds1

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

3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 104828995) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID104828995
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(n1c(N)nc2cccnc21)C(C)(C)C
InChIInChI=1S/C12H18N4/c1-8(12(2,3)4)16-10-9(15-11(16)13)6-5-7-14-10/h5-8H,1-4H3,(H2,13,15)
InChIKeyPFXDRAGRKZOMBH-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142
3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290150
3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79289847
3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289500
1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol
CID 66002160
1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine
CID 104828994
2,3-dimethyl-3-(3-methylimidazo[4,5-b]pyridin-2-yl)butan-2-amine
CID 65261518
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 98023074
1-(3,3-dimethylbutan-2-yl)-6-(2-phenylethynyl)benzimidazol-2-amine
CID 66868796
5-methyl-3-(1-pyridin-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 81138308
3-fluoro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)aniline
CID 107793649

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine (CID 104828995) is 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine is CC(n1c(N)nc2cccnc21)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is PFXDRAGRKZOMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(12(2,3)4)16-10-9(15-11(16)13)6-5-7-14-10/h5-8H,1-4H3,(H2,13,15).
What are the key properties of 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine?
3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 104828995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).