4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine

C11H12N2S2 — CID 58094768

IUPAC4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cc(C)c(C)s2)n1
InChIInChI=1S/C11H12N2S2/c1-7-6-10(15-8(7)2)9-4-5-12-11(13-9)14-3/h4-6H,1-3H3
InChIKeyCIQDKJPEOBHSFQ-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.54
Rot. Bonds2

About 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine

4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine (PubChem CID 58094768) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine
PubChem CID58094768
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cc(C)c(C)s2)n1
InChIInChI=1S/C11H12N2S2/c1-7-6-10(15-8(7)2)9-4-5-12-11(13-9)14-3/h4-6H,1-3H3
InChIKeyCIQDKJPEOBHSFQ-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine (CID 58094768) is 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine is CSc1nccc(-c2cc(C)c(C)s2)n1.
What is the InChIKey of 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine?
The InChIKey is CIQDKJPEOBHSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-7-6-10(15-8(7)2)9-4-5-12-11(13-9)14-3/h4-6H,1-3H3.
What are the key properties of 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine?
4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine has a molecular weight of 236.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylthiophen-2-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 58094768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).