4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol

C14H12N2O2S — CID 60870662

IUPAC4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
SMILESCc1sc2ncnc(Oc3ccc(O)cc3)c2c1C
InChIInChI=1S/C14H12N2O2S/c1-8-9(2)19-14-12(8)13(15-7-16-14)18-11-5-3-10(17)4-6-11/h3-7,17H,1-2H3
InChIKeyRZSOFRWAXJUVGQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.81
Rot. Bonds2

About 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol

4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol (PubChem CID 60870662) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol.

Molecular Properties

Compound Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
PubChem CID60870662
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
SMILESCc1sc2ncnc(Oc3ccc(O)cc3)c2c1C
InChIInChI=1S/C14H12N2O2S/c1-8-9(2)19-14-12(8)13(15-7-16-14)18-11-5-3-10(17)4-6-11/h3-7,17H,1-2H3
InChIKeyRZSOFRWAXJUVGQ-UHFFFAOYSA-N
XLogP3.81
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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
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-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetonitrile
CID 9108653
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
CID 63850530
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
CID 9250705
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
CID 54910806
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
methyl 4-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 1186201
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
The IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol (CID 60870662) is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol.
What is the SMILES notation for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
The canonical SMILES for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol is Cc1sc2ncnc(Oc3ccc(O)cc3)c2c1C.
What is the InChIKey of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
The InChIKey is RZSOFRWAXJUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-9(2)19-14-12(8)13(15-7-16-14)18-11-5-3-10(17)4-6-11/h3-7,17H,1-2H3.
What are the key properties of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol has a molecular weight of 272.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol is sourced from PubChem (CID 60870662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).