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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Related Compounds

4-(2-methylphenyl)-2-methylsulfanylpyrimidine
CID 71185326
4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine
CID 58095055
N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
CID 2820471
2-methyl-7-(2-methylsulfanylpyrimidin-4-yl)cyclohepta-2,4,6-trien-1-one
CID 174169434
4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine
CID 90289832
4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
CID 57263424
2-(4-butylphenyl)-4-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
CID 135370748
2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
CID 15603902
4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15603563
4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 143376838
3-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 169291385
4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
CID 42609102

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).