4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine

C9H5Cl2FN2S — CID 66000039

IUPAC4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2ccc(Cl)s2)nc(Cl)c1F
InChIInChI=1S/C9H5Cl2FN2S/c1-4-7(12)8(11)14-9(13-4)5-2-3-6(10)15-5/h2-3H,1H3
InChIKeySOORIUXPYNNHRP-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.96
Rot. Bonds1

About 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine (PubChem CID 66000039) has the molecular formula C9H5Cl2FN2S and a molecular weight of 263.12 g/mol. Its IUPAC name is 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine
PubChem CID66000039
Molecular FormulaC9H5Cl2FN2S
Molecular Weight263.12 g/mol
Exact Mass261.95
IUPAC Name4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2ccc(Cl)s2)nc(Cl)c1F
InChIInChI=1S/C9H5Cl2FN2S/c1-4-7(12)8(11)14-9(13-4)5-2-3-6(10)15-5/h2-3H,1H3
InChIKeySOORIUXPYNNHRP-UHFFFAOYSA-N
XLogP3.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine (CID 66000039) is 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine is Cc1nc(-c2ccc(Cl)s2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine?
The InChIKey is SOORIUXPYNNHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2S/c1-4-7(12)8(11)14-9(13-4)5-2-3-6(10)15-5/h2-3H,1H3.
What are the key properties of 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine has a molecular weight of 263.12 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chlorothiophen-2-yl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66000039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).