3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

C18H13N3OS — CID 733565

IUPAC3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C18H13N3OS/c22-14-8-4-7-13(9-14)21-17-16-15(12-5-2-1-3-6-12)10-23-18(16)20-11-19-17/h1-11,22H,(H,19,20,21)
InChIKeyFURAZXKONFAWIZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.81
Rot. Bonds3

About 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 733565) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID733565
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C18H13N3OS/c22-14-8-4-7-13(9-14)21-17-16-15(12-5-2-1-3-6-12)10-23-18(16)20-11-19-17/h1-11,22H,(H,19,20,21)
InChIKeyFURAZXKONFAWIZ-UHFFFAOYSA-N
XLogP4.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (CID 733565) is 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is Oc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1.
What is the InChIKey of 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is FURAZXKONFAWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c22-14-8-4-7-13(9-14)21-17-16-15(12-5-2-1-3-6-12)10-23-18(16)20-11-19-17/h1-11,22H,(H,19,20,21).
What are the key properties of 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 319.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 733565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).