4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine

C8H3Cl3N2S — CID 131008069

IUPAC4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
SMILESClc1cc(Cl)nc(-c2sccc2Cl)n1
InChIInChI=1S/C8H3Cl3N2S/c9-4-1-2-14-7(4)8-12-5(10)3-6(11)13-8/h1-3H
InChIKeyMQTSETJFXZYPLC-UHFFFAOYSA-N
MW265.55 g/mol
LogP4.17
Rot. Bonds1

About 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine

4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine (PubChem CID 131008069) has the molecular formula C8H3Cl3N2S and a molecular weight of 265.55 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
PubChem CID131008069
Molecular FormulaC8H3Cl3N2S
Molecular Weight265.55 g/mol
Exact Mass263.91
IUPAC Name4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
SMILESClc1cc(Cl)nc(-c2sccc2Cl)n1
InChIInChI=1S/C8H3Cl3N2S/c9-4-1-2-14-7(4)8-12-5(10)3-6(11)13-8/h1-3H
InChIKeyMQTSETJFXZYPLC-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-N~4~-Cyclopropyl-N~4~-[(Thiophen-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 47279808
2-(2-Thienyl)pyrimidine
CID 818965
6-Chloro-2-[(5-chloro-2-thienyl)methylsulfanyl]pyrimidin-4-amine
CID 492784
4,6-Dichloro-2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine
CID 58134591
2,4-Dichloro-6-(5-fluorothiophen-2-yl)pyrimidine
CID 141520419
4-Chloro-5-fluoro-6-methyl-2-thiophen-2-ylpyrimidine
CID 65997843
4-Chloro-5-fluoro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 65998441
4-Chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine
CID 66000039
4,6-Dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66052660
4,6-Dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66070952
4,6-Dichloro-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66072870
4-Chloro-2-(4-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine
CID 79427088

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine (CID 131008069) is 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine is Clc1cc(Cl)nc(-c2sccc2Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine?
The InChIKey is MQTSETJFXZYPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3N2S/c9-4-1-2-14-7(4)8-12-5(10)3-6(11)13-8/h1-3H.
What are the key properties of 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine?
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine has a molecular weight of 265.55 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine is sourced from PubChem (CID 131008069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).