(2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine

C11H16N4S — CID 84699608

IUPAC(2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
SMILESCSc1nc2cc(CN)cnc2n1C(C)C
InChIInChI=1S/C11H16N4S/c1-7(2)15-10-9(14-11(15)16-3)4-8(5-12)6-13-10/h4,6-7H,5,12H2,1-3H3
InChIKeyDRNCKSCJDNIOEO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.19
Rot. Bonds3

About (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine

(2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine (PubChem CID 84699608) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
PubChem CID84699608
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name(2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
SMILESCSc1nc2cc(CN)cnc2n1C(C)C
InChIInChI=1S/C11H16N4S/c1-7(2)15-10-9(14-11(15)16-3)4-8(5-12)6-13-10/h4,6-7H,5,12H2,1-3H3
InChIKeyDRNCKSCJDNIOEO-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-2-methylsulfanylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84676289
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84662755
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
6-(aminomethyl)-3-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 84665579
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
3-cyclopropyl-2-methylsulfanylimidazo[4,5-b]pyridin-6-amine
CID 84685932
2-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)ethanamine
CID 83877519
2-methylsulfanyl-5-methylsulfonyl-1-propan-2-ylbenzimidazole
CID 4190977
[1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 115042606
6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 63773438
[1-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]methanamine
CID 174276964
[5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130097556

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine?
The IUPAC name of (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine (CID 84699608) is (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine.
What is the SMILES notation for (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine?
The canonical SMILES for (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine is CSc1nc2cc(CN)cnc2n1C(C)C.
What is the InChIKey of (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine?
The InChIKey is DRNCKSCJDNIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(2)15-10-9(14-11(15)16-3)4-8(5-12)6-13-10/h4,6-7H,5,12H2,1-3H3.
What are the key properties of (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine?
(2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine is sourced from PubChem (CID 84699608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).