4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C17H10ClN3S — CID 3759524

IUPAC4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H10ClN3S/c18-15-14-13(11-5-2-1-3-6-11)10-22-17(14)21-16(20-15)12-7-4-8-19-9-12/h1-10H
InChIKeyPXYHWAQBHXHCJR-UHFFFAOYSA-N
MW323.81 g/mol
LogP5.07
Rot. Bonds2

About 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 3759524) has the molecular formula C17H10ClN3S and a molecular weight of 323.81 g/mol. Its IUPAC name is 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID3759524
Molecular FormulaC17H10ClN3S
Molecular Weight323.81 g/mol
Exact Mass323.03
IUPAC Name4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H10ClN3S/c18-15-14-13(11-5-2-1-3-6-11)10-22-17(14)21-16(20-15)12-7-4-8-19-9-12/h1-10H
InChIKeyPXYHWAQBHXHCJR-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 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 3759524) is 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is Clc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is PXYHWAQBHXHCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3S/c18-15-14-13(11-5-2-1-3-6-11)10-22-17(14)21-16(20-15)12-7-4-8-19-9-12/h1-10H.
What are the key properties of 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-chloro-5-phenyl-2-pyridin-3-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 4-chloro-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 3759524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).