2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine

C9H6Cl2N2S — CID 107360951

IUPAC2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1-c1sccc1Cl
InChIInChI=1S/C9H6Cl2N2S/c1-5-4-12-9(11)13-7(5)8-6(10)2-3-14-8/h2-4H,1H3
InChIKeyGWKLJSNFKSGYGH-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.82
Rot. Bonds1

About 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine

2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine (PubChem CID 107360951) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
PubChem CID107360951
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1-c1sccc1Cl
InChIInChI=1S/C9H6Cl2N2S/c1-5-4-12-9(11)13-7(5)8-6(10)2-3-14-8/h2-4H,1H3
InChIKeyGWKLJSNFKSGYGH-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine (CID 107360951) is 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine is Cc1cnc(Cl)nc1-c1sccc1Cl.
What is the InChIKey of 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine?
The InChIKey is GWKLJSNFKSGYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c1-5-4-12-9(11)13-7(5)8-6(10)2-3-14-8/h2-4H,1H3.
What are the key properties of 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine?
2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine has a molecular weight of 245.13 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine is sourced from PubChem (CID 107360951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).