6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

C17H11N3OS — CID 2106365

IUPAC6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H11N3OS/c21-16-13-9-14(11-5-2-1-3-6-11)22-17(13)20-15(19-16)12-7-4-8-18-10-12/h1-10H,(H,19,20,21)
InChIKeyWSOJFBCHEQPUNS-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.71
Rot. Bonds2

About 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2106365) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2106365
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H11N3OS/c21-16-13-9-14(11-5-2-1-3-6-11)22-17(13)20-15(19-16)12-7-4-8-18-10-12/h1-10H,(H,19,20,21)
InChIKeyWSOJFBCHEQPUNS-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2106365) is 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccnc2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WSOJFBCHEQPUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-16-13-9-14(11-5-2-1-3-6-11)22-17(13)20-15(19-16)12-7-4-8-18-10-12/h1-10H,(H,19,20,21).
What are the key properties of 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2106365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).