4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine

C11H10ClN3S — CID 86718090

IUPAC4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(C3=CCNCC3)sc12
InChIInChI=1S/C11H10ClN3S/c12-11-10-8(14-6-15-11)5-9(16-10)7-1-3-13-4-2-7/h1,5-6,13H,2-4H2
InChIKeyUEDQQMGJCLYWRZ-UHFFFAOYSA-N
MW251.74 g/mol
LogP2.72
Rot. Bonds1

About 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine

4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine (PubChem CID 86718090) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine
PubChem CID86718090
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(C3=CCNCC3)sc12
InChIInChI=1S/C11H10ClN3S/c12-11-10-8(14-6-15-11)5-9(16-10)7-1-3-13-4-2-7/h1,5-6,13H,2-4H2
InChIKeyUEDQQMGJCLYWRZ-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine (CID 86718090) is 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine is Clc1ncnc2cc(C3=CCNCC3)sc12.
What is the InChIKey of 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine?
The InChIKey is UEDQQMGJCLYWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c12-11-10-8(14-6-15-11)5-9(16-10)7-1-3-13-4-2-7/h1,5-6,13H,2-4H2.
What are the key properties of 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine?
4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine has a molecular weight of 251.74 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 86718090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).