4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine

C12H6Cl2N2S — CID 708755

IUPAC4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C12H6Cl2N2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H
InChIKeyQDMQHIKVIOWCGY-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.67
Rot. Bonds1

About 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine

4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine (PubChem CID 708755) has the molecular formula C12H6Cl2N2S and a molecular weight of 281.17 g/mol. Its IUPAC name is 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
PubChem CID708755
Molecular FormulaC12H6Cl2N2S
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C12H6Cl2N2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H
InChIKeyQDMQHIKVIOWCGY-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
5-(4-Bromophenyl)-4-chlorothieno[2,3-d]pyrimidine
CID 938877
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene
CID 789817
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
4-Chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2531878
4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine
CID 290212
3-Chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
CID 699515
4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 704026

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine (CID 708755) is 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine is Clc1ccc(-c2csc3ncnc(Cl)c23)cc1.
What is the InChIKey of 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
The InChIKey is QDMQHIKVIOWCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H.
What are the key properties of 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine has a molecular weight of 281.17 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 708755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).