3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol

C13H10N2O2S — CID 102687000

IUPAC3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
SMILESCc1csc2c(Oc3cccc(O)c3)ncnc12
InChIInChI=1S/C13H10N2O2S/c1-8-6-18-12-11(8)14-7-15-13(12)17-10-4-2-3-9(16)5-10/h2-7,16H,1H3
InChIKeyRTHOBVSLIQNDIC-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.50
Rot. Bonds2

About 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol

3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol (PubChem CID 102687000) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol.

Molecular Properties

Compound Name3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
PubChem CID102687000
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
SMILESCc1csc2c(Oc3cccc(O)c3)ncnc12
InChIInChI=1S/C13H10N2O2S/c1-8-6-18-12-11(8)14-7-15-13(12)17-10-4-2-3-9(16)5-10/h2-7,16H,1H3
InChIKeyRTHOBVSLIQNDIC-UHFFFAOYSA-N
XLogP3.50
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687073
3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686771
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687093
2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686774
3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)diazenyl]methyl]phenol
CID 90936081
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
CID 62831524
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
CID 102686754
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745
2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
CID 102686720

Frequently Asked Questions

What is the IUPAC name of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol?
The IUPAC name of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol (CID 102687000) is 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol.
What is the SMILES notation for 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol?
The canonical SMILES for 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol is Cc1csc2c(Oc3cccc(O)c3)ncnc12.
What is the InChIKey of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol?
The InChIKey is RTHOBVSLIQNDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-6-18-12-11(8)14-7-15-13(12)17-10-4-2-3-9(16)5-10/h2-7,16H,1H3.
What are the key properties of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol?
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol has a molecular weight of 258.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol is sourced from PubChem (CID 102687000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).