4-ethyl-2,6-bis(methylsulfanyl)pyrimidine

C8H12N2S2 — CID 130708904

IUPAC4-ethyl-2,6-bis(methylsulfanyl)pyrimidine
SMILESCCc1cc(SC)nc(SC)n1
InChIInChI=1S/C8H12N2S2/c1-4-6-5-7(11-2)10-8(9-6)12-3/h5H,4H2,1-3H3
InChIKeyOZAYDVYQDZPMHQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.48
Rot. Bonds3

About 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine

4-ethyl-2,6-bis(methylsulfanyl)pyrimidine (PubChem CID 130708904) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-2,6-bis(methylsulfanyl)pyrimidine
PubChem CID130708904
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name4-ethyl-2,6-bis(methylsulfanyl)pyrimidine
SMILESCCc1cc(SC)nc(SC)n1
InChIInChI=1S/C8H12N2S2/c1-4-6-5-7(11-2)10-8(9-6)12-3/h5H,4H2,1-3H3
InChIKeyOZAYDVYQDZPMHQ-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-6-methoxy-2-methylsulfanylpyrimidine
CID 89008089
bis(4-[3-[2,6-bis(methylsulfanyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2,6-bis(methylsulfanyl)pyrimidine);4-[3-(2,6-diethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-2,6-diethylpyrimidine
CID 158125681
4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine
CID 134171694
4-bromo-2,6-bis(methylsulfanyl)pyrimidine
CID 102390666
4-chloro-2-methylsulfanyl-6-propylpyrimidine
CID 75132210
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine
CID 163343966
2,6-diethyl-4-methylpyridine
CID 12595102
6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 154828905
N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine
CID 80888612
2-ethyl-4-fluoro-6-propan-2-ylpyridine
CID 155119426

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine (CID 130708904) is 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine is CCc1cc(SC)nc(SC)n1.
What is the InChIKey of 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine?
The InChIKey is OZAYDVYQDZPMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-4-6-5-7(11-2)10-8(9-6)12-3/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine?
4-ethyl-2,6-bis(methylsulfanyl)pyrimidine has a molecular weight of 200.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 130708904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).