2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine

C19H17N3S2 — CID 24577230

IUPAC2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
SMILESCc1nc(SCc2cccc3cccnc23)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H17N3S2/c1-11-12(2)24-19-16(11)18(21-13(3)22-19)23-10-15-7-4-6-14-8-5-9-20-17(14)15/h4-9H,10H2,1-3H3
InChIKeyRHFMYIAQBCOKOC-UHFFFAOYSA-N
MW351.50 g/mol
LogP5.46
Rot. Bonds3

About 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine

2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine (PubChem CID 24577230) has the molecular formula C19H17N3S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
PubChem CID24577230
Molecular FormulaC19H17N3S2
Molecular Weight351.50 g/mol
Exact Mass351.09
IUPAC Name2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
SMILESCc1nc(SCc2cccc3cccnc23)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H17N3S2/c1-11-12(2)24-19-16(11)18(21-13(3)22-19)23-10-15-7-4-6-14-8-5-9-20-17(14)15/h4-9H,10H2,1-3H3
InChIKeyRHFMYIAQBCOKOC-UHFFFAOYSA-N
XLogP5.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 42887380
4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzamide
CID 17467447
N-(4-methylphenyl)-2-[4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 30546989
3-(4-nitrophenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55772013
5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 42928810
2-[(5-chloroquinolin-8-yl)methylsulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 38867322
N-(2-iodophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 41213688
N-(2-fluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1076016
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
1-(4-phenylpiperazin-1-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 4821831
4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine
CID 43637194
8-(2-methylprop-2-enyl)quinoline
CID 142452195

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine (CID 24577230) is 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine is Cc1nc(SCc2cccc3cccnc23)c2c(C)c(C)sc2n1.
What is the InChIKey of 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine?
The InChIKey is RHFMYIAQBCOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S2/c1-11-12(2)24-19-16(11)18(21-13(3)22-19)23-10-15-7-4-6-14-8-5-9-20-17(14)15/h4-9H,10H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine?
2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine has a molecular weight of 351.50 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 24577230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).