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

C16H16N2OS — CID 9213194

IUPAC2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1cccc(Oc2nc(C)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C16H16N2OS/c1-9-6-5-7-13(8-9)19-15-14-10(2)11(3)20-16(14)18-12(4)17-15/h5-8H,1-4H3
InChIKeyZBFKRTZUTJTGRI-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.72
Rot. Bonds2

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

2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 9213194) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID9213194
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1cccc(Oc2nc(C)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C16H16N2OS/c1-9-6-5-7-13(8-9)19-15-14-10(2)11(3)20-16(14)18-12(4)17-15/h5-8H,1-4H3
InChIKeyZBFKRTZUTJTGRI-UHFFFAOYSA-N
XLogP4.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine (CID 9213194) is 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine is Cc1cccc(Oc2nc(C)nc3sc(C)c(C)c23)c1.
What is the InChIKey of 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is ZBFKRTZUTJTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-9-6-5-7-13(8-9)19-15-14-10(2)11(3)20-16(14)18-12(4)17-15/h5-8H,1-4H3.
What are the key properties of 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine?
2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 284.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9213194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).