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

C14H12N2OS2 — CID 54910806

IUPAC4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
SMILESCc1sc2ncnc(Sc3ccc(O)cc3)c2c1C
InChIInChI=1S/C14H12N2OS2/c1-8-9(2)18-13-12(8)14(16-7-15-13)19-11-5-3-10(17)4-6-11/h3-7,17H,1-2H3
InChIKeyAPCBJCYXGIFHAE-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.16
Rot. Bonds2

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

4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol (PubChem CID 54910806) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol.

Molecular Properties

Compound Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
PubChem CID54910806
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
SMILESCc1sc2ncnc(Sc3ccc(O)cc3)c2c1C
InChIInChI=1S/C14H12N2OS2/c1-8-9(2)18-13-12(8)14(16-7-15-13)19-11-5-3-10(17)4-6-11/h3-7,17H,1-2H3
InChIKeyAPCBJCYXGIFHAE-UHFFFAOYSA-N
XLogP4.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol?
The IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol (CID 54910806) is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol.
What is the SMILES notation for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol?
The canonical SMILES for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol is Cc1sc2ncnc(Sc3ccc(O)cc3)c2c1C.
What is the InChIKey of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol?
The InChIKey is APCBJCYXGIFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-8-9(2)18-13-12(8)14(16-7-15-13)19-11-5-3-10(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)sulfanylphenol?
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol has a molecular weight of 288.40 g/mol, XLogP of 4.16, 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)sulfanylphenol is sourced from PubChem (CID 54910806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).