3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol

C17H12N4OS — CID 24855097

IUPAC3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESNc1ccc(-c2nc(-c3cccc(O)c3)nc3ccsc23)cn1
InChIInChI=1S/C17H12N4OS/c18-14-5-4-11(9-19-14)15-16-13(6-7-23-16)20-17(21-15)10-2-1-3-12(22)8-10/h1-9,22H,(H2,18,19)
InChIKeyWXLWYQKQQFVUCC-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.71
Rot. Bonds2

About 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol

3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 24855097) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID24855097
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESNc1ccc(-c2nc(-c3cccc(O)c3)nc3ccsc23)cn1
InChIInChI=1S/C17H12N4OS/c18-14-5-4-11(9-19-14)15-16-13(6-7-23-16)20-17(21-15)10-2-1-3-12(22)8-10/h1-9,22H,(H2,18,19)
InChIKeyWXLWYQKQQFVUCC-UHFFFAOYSA-N
XLogP3.71
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol (CID 24855097) is 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol is Nc1ccc(-c2nc(-c3cccc(O)c3)nc3ccsc23)cn1.
What is the InChIKey of 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is WXLWYQKQQFVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-14-5-4-11(9-19-14)15-16-13(6-7-23-16)20-17(21-15)10-2-1-3-12(22)8-10/h1-9,22H,(H2,18,19).
What are the key properties of 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol?
3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 320.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-amino-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 24855097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).