5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine

C17H10ClN3S — CID 67382265

IUPAC5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(-c4ccccn4)c23)cc1
InChIInChI=1S/C17H10ClN3S/c18-12-6-4-11(5-7-12)13-9-22-17-15(13)16(20-10-21-17)14-3-1-2-8-19-14/h1-10H
InChIKeyRZVLMPTVUPSYOV-UHFFFAOYSA-N
MW323.81 g/mol
LogP5.07
Rot. Bonds2

About 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine

5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine (PubChem CID 67382265) has the molecular formula C17H10ClN3S and a molecular weight of 323.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine
PubChem CID67382265
Molecular FormulaC17H10ClN3S
Molecular Weight323.81 g/mol
Exact Mass323.03
IUPAC Name5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(-c4ccccn4)c23)cc1
InChIInChI=1S/C17H10ClN3S/c18-12-6-4-11(5-7-12)13-9-22-17-15(13)16(20-10-21-17)14-3-1-2-8-19-14/h1-10H
InChIKeyRZVLMPTVUPSYOV-UHFFFAOYSA-N
XLogP5.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.81
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine (CID 67382265) is 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine is Clc1ccc(-c2csc3ncnc(-c4ccccn4)c23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is RZVLMPTVUPSYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3S/c18-12-6-4-11(5-7-12)13-9-22-17-15(13)16(20-10-21-17)14-3-1-2-8-19-14/h1-10H.
What are the key properties of 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine?
5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 323.81 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 67382265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).