[5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium

C19H23N6S2+ — CID 9110642

IUPAC[5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1nc(Sc2nnc3ccccn23)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H22N6S2/c1-5-24(6-2)11-14-20-17-16(12(3)13(4)26-17)18(21-14)27-19-23-22-15-9-7-8-10-25(15)19/h7-10H,5-6,11H2,1-4H3/p+1
InChIKeyXIGQXCAKFNGYLP-UHFFFAOYSA-O
MW399.57 g/mol
LogP2.93
Rot. Bonds6

About [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium

[5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium (PubChem CID 9110642) has the molecular formula C19H23N6S2+ and a molecular weight of 399.57 g/mol. Its IUPAC name is [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium.

Molecular Properties

Compound Name[5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
PubChem CID9110642
Molecular FormulaC19H23N6S2+
Molecular Weight399.57 g/mol
Exact Mass399.14
IUPAC Name[5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1nc(Sc2nnc3ccccn23)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H22N6S2/c1-5-24(6-2)11-14-20-17-16(12(3)13(4)26-17)18(21-14)27-19-23-22-15-9-7-8-10-25(15)19/h7-10H,5-6,11H2,1-4H3/p+1
InChIKeyXIGQXCAKFNGYLP-UHFFFAOYSA-O
XLogP2.93
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium with MolForge

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Related Compounds

5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
CID 2464430
2-ethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 1039342
[2-ethyl-5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 81001449
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 80970201
5-methyl-2-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80990134
4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 24566190
diethyl-[[4-[2-(2-fluorophenoxy)ethylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 8894817
diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 9195842
3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55126639
3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 113413907
[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9213486
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
The IUPAC name of [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium (CID 9110642) is [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium.
What is the SMILES notation for [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
The canonical SMILES for [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium is CC[NH+](CC)Cc1nc(Sc2nnc3ccccn23)c2c(C)c(C)sc2n1.
What is the InChIKey of [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
The InChIKey is XIGQXCAKFNGYLP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N6S2/c1-5-24(6-2)11-14-20-17-16(12(3)13(4)26-17)18(21-14)27-19-23-22-15-9-7-8-10-25(15)19/h7-10H,5-6,11H2,1-4H3/p+1.
What are the key properties of [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium?
[5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium has a molecular weight of 399.57 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium is sourced from PubChem (CID 9110642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).