4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C13H10ClN3S — CID 2427243

IUPAC4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(-c3cccnc3)nc(Cl)c2c1C
InChIInChI=1S/C13H10ClN3S/c1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-4-3-5-15-6-9/h3-6H,1-2H3
InChIKeyOKMOUSJGXYXWHP-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.02
Rot. Bonds1

About 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 2427243) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID2427243
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(-c3cccnc3)nc(Cl)c2c1C
InChIInChI=1S/C13H10ClN3S/c1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-4-3-5-15-6-9/h3-6H,1-2H3
InChIKeyOKMOUSJGXYXWHP-UHFFFAOYSA-N
XLogP4.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 2427243) is 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is Cc1sc2nc(-c3cccnc3)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is OKMOUSJGXYXWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c1-7-8(2)18-13-10(7)11(14)16-12(17-13)9-4-3-5-15-6-9/h3-6H,1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 275.76 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2427243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).