4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine

C12H8ClN3S — CID 114876300

IUPAC4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine
SMILESCc1ccncc1-c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H8ClN3S/c1-7-2-4-14-6-9(7)11-15-10(13)8-3-5-17-12(8)16-11/h2-6H,1H3
InChIKeyODKDJKFPUYCULX-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.72
Rot. Bonds1

About 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine

4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine (PubChem CID 114876300) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine
PubChem CID114876300
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine
SMILESCc1ccncc1-c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H8ClN3S/c1-7-2-4-14-6-9(7)11-15-10(13)8-3-5-17-12(8)16-11/h2-6H,1H3
InChIKeyODKDJKFPUYCULX-UHFFFAOYSA-N
XLogP3.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine (CID 114876300) is 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine is Cc1ccncc1-c1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine?
The InChIKey is ODKDJKFPUYCULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c1-7-2-4-14-6-9(7)11-15-10(13)8-3-5-17-12(8)16-11/h2-6H,1H3.
What are the key properties of 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine?
4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine has a molecular weight of 261.74 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methyl-3-pyridinyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 114876300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).