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

C15H14N2OS — CID 719971

IUPAC5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccccc1Oc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C15H14N2OS/c1-9-6-4-5-7-12(9)18-14-13-10(2)11(3)19-15(13)17-8-16-14/h4-8H,1-3H3
InChIKeyQBBAZGZWTDSFJF-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.41
Rot. Bonds2

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

5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 719971) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID719971
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccccc1Oc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C15H14N2OS/c1-9-6-4-5-7-12(9)18-14-13-10(2)11(3)19-15(13)17-8-16-14/h4-8H,1-3H3
InChIKeyQBBAZGZWTDSFJF-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine (CID 719971) is 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine is Cc1ccccc1Oc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is QBBAZGZWTDSFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-6-4-5-7-12(9)18-14-13-10(2)11(3)19-15(13)17-8-16-14/h4-8H,1-3H3.
What are the key properties of 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 270.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 719971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).