2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine

C16H16N2OS2 — CID 9109097

IUPAC2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
SMILESCSc1ccc(Oc2nc(C)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C16H16N2OS2/c1-9-10(2)21-16-14(9)15(17-11(3)18-16)19-12-5-7-13(20-4)8-6-12/h5-8H,1-4H3
InChIKeyVYROOQNUHVHMBC-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.13
Rot. Bonds3

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

2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 9109097) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID9109097
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
SMILESCSc1ccc(Oc2nc(C)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C16H16N2OS2/c1-9-10(2)21-16-14(9)15(17-11(3)18-16)19-12-5-7-13(20-4)8-6-12/h5-8H,1-4H3
InChIKeyVYROOQNUHVHMBC-UHFFFAOYSA-N
XLogP5.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
CID 9213194
2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9311095
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
CID 9280227
3-methoxy-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 9195351
4-[4-[2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-yl]phenoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2238945
[4-(4-cyanophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9213486
ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 9251221
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine (CID 9109097) is 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine is CSc1ccc(Oc2nc(C)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is VYROOQNUHVHMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-9-10(2)21-16-14(9)15(17-11(3)18-16)19-12-5-7-13(20-4)8-6-12/h5-8H,1-4H3.
What are the key properties of 2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine?
2,5,6-trimethyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 316.45 g/mol, XLogP of 5.13, 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-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9109097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).