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

C12H5Cl3N2S — CID 43332783

IUPAC4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine
SMILESClc1cc(Cl)cc(-c2cc3ncnc(Cl)c3s2)c1
InChIInChI=1S/C12H5Cl3N2S/c13-7-1-6(2-8(14)3-7)10-4-9-11(18-10)12(15)17-5-16-9/h1-5H
InChIKeyIZDZWUWAYMWKFI-UHFFFAOYSA-N
MW315.61 g/mol
LogP5.32
Rot. Bonds1

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

4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine (PubChem CID 43332783) has the molecular formula C12H5Cl3N2S and a molecular weight of 315.61 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine
PubChem CID43332783
Molecular FormulaC12H5Cl3N2S
Molecular Weight315.61 g/mol
Exact Mass313.92
IUPAC Name4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine
SMILESClc1cc(Cl)cc(-c2cc3ncnc(Cl)c3s2)c1
InChIInChI=1S/C12H5Cl3N2S/c13-7-1-6(2-8(14)3-7)10-4-9-11(18-10)12(15)17-5-16-9/h1-5H
InChIKeyIZDZWUWAYMWKFI-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.61
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine
CID 81324041
4-chloro-6-phenylthieno[3,2-d]pyrimidine
CID 2757862
4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine
CID 43332794
4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 43332773
4-chloro-6-(5-chloro-2-methylphenyl)thieno[3,2-d]pyrimidine
CID 82883998
6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine
CID 114560090
6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride
CID 122360142
4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
CID 43155613
4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine
CID 86718090
6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine
CID 106854896
4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine
CID 86095004
6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine
CID 65306995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine (CID 43332783) is 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine is Clc1cc(Cl)cc(-c2cc3ncnc(Cl)c3s2)c1.
What is the InChIKey of 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine?
The InChIKey is IZDZWUWAYMWKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2S/c13-7-1-6(2-8(14)3-7)10-4-9-11(18-10)12(15)17-5-16-9/h1-5H.
What are the key properties of 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine?
4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine has a molecular weight of 315.61 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 43332783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).