(3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol

C13H10N2OS — CID 39826535

IUPAC(3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
SMILESOCc1cccc(-c2ncnc3sccc23)c1
InChIInChI=1S/C13H10N2OS/c16-7-9-2-1-3-10(6-9)12-11-4-5-17-13(11)15-8-14-12/h1-6,8,16H,7H2
InChIKeyZMJMTMGOSFABRM-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.85
Rot. Bonds2

About (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol

(3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol (PubChem CID 39826535) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol.

Molecular Properties

Compound Name(3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
PubChem CID39826535
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name(3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
SMILESOCc1cccc(-c2ncnc3sccc23)c1
InChIInChI=1S/C13H10N2OS/c16-7-9-2-1-3-10(6-9)12-11-4-5-17-13(11)15-8-14-12/h1-6,8,16H,7H2
InChIKeyZMJMTMGOSFABRM-UHFFFAOYSA-N
XLogP2.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
The IUPAC name of (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol (CID 39826535) is (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol.
What is the SMILES notation for (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
The canonical SMILES for (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol is OCc1cccc(-c2ncnc3sccc23)c1.
What is the InChIKey of (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
The InChIKey is ZMJMTMGOSFABRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-7-9-2-1-3-10(6-9)12-11-4-5-17-13(11)15-8-14-12/h1-6,8,16H,7H2.
What are the key properties of (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
(3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol has a molecular weight of 242.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol is sourced from PubChem (CID 39826535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).