4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine

C15H16N2O2S — CID 71176406

IUPAC4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCOc1cc(C)ccc1Oc1ncnc2c1C(C)CS2
InChIInChI=1S/C15H16N2O2S/c1-9-4-5-11(12(6-9)18-3)19-14-13-10(2)7-20-15(13)17-8-16-14/h4-6,8,10H,7H2,1-3H3
InChIKeyANYCQUGBDRGSLU-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.80
Rot. Bonds3

About 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine

4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine (PubChem CID 71176406) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine
PubChem CID71176406
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine
SMILESCOc1cc(C)ccc1Oc1ncnc2c1C(C)CS2
InChIInChI=1S/C15H16N2O2S/c1-9-4-5-11(12(6-9)18-3)19-14-13-10(2)7-20-15(13)17-8-16-14/h4-6,8,10H,7H2,1-3H3
InChIKeyANYCQUGBDRGSLU-UHFFFAOYSA-N
XLogP3.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine (CID 71176406) is 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine is COc1cc(C)ccc1Oc1ncnc2c1C(C)CS2.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine?
The InChIKey is ANYCQUGBDRGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-4-5-11(12(6-9)18-3)19-14-13-10(2)7-20-15(13)17-8-16-14/h4-6,8,10H,7H2,1-3H3.
What are the key properties of 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine?
4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine has a molecular weight of 288.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)-5-methyl-5,6-dihydrothieno[2,3-d]pyrimidine is sourced from PubChem (CID 71176406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).