6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine

C17H15N3S — CID 171678564

IUPAC6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESc1ccc(-c2ccnc(N3CCc4ccsc4C3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-2-4-13(5-3-1)15-6-9-18-17(19-15)20-10-7-14-8-11-21-16(14)12-20/h1-6,8-9,11H,7,10,12H2
InChIKeyBVONUQCIHKRISA-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.77
Rot. Bonds2

About 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine

6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 171678564) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID171678564
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESc1ccc(-c2ccnc(N3CCc4ccsc4C3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-2-4-13(5-3-1)15-6-9-18-17(19-15)20-10-7-14-8-11-21-16(14)12-20/h1-6,8-9,11H,7,10,12H2
InChIKeyBVONUQCIHKRISA-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 171678564) is 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine is c1ccc(-c2ccnc(N3CCc4ccsc4C3)n2)cc1.
What is the InChIKey of 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is BVONUQCIHKRISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-2-4-13(5-3-1)15-6-9-18-17(19-15)20-10-7-14-8-11-21-16(14)12-20/h1-6,8-9,11H,7,10,12H2.
What are the key properties of 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 293.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 171678564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).