4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine

C13H8Cl2N2S — CID 81324041

IUPAC4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine
SMILESCc1cc(Cl)cc(-c2cc3ncnc(Cl)c3s2)c1
InChIInChI=1S/C13H8Cl2N2S/c1-7-2-8(4-9(14)3-7)11-5-10-12(18-11)13(15)17-6-16-10/h2-6H,1H3
InChIKeyXSBRSMSSLHBBAK-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.97
Rot. Bonds1

About 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine

4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine (PubChem CID 81324041) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine
PubChem CID81324041
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine
SMILESCc1cc(Cl)cc(-c2cc3ncnc(Cl)c3s2)c1
InChIInChI=1S/C13H8Cl2N2S/c1-7-2-8(4-9(14)3-7)11-5-10-12(18-11)13(15)17-6-16-10/h2-6H,1H3
InChIKeyXSBRSMSSLHBBAK-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine (CID 81324041) is 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine is Cc1cc(Cl)cc(-c2cc3ncnc(Cl)c3s2)c1.
What is the InChIKey of 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine?
The InChIKey is XSBRSMSSLHBBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c1-7-2-8(4-9(14)3-7)11-5-10-12(18-11)13(15)17-6-16-10/h2-6H,1H3.
What are the key properties of 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine?
4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine has a molecular weight of 295.19 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 81324041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).