4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine

C11H11ClN2OS — CID 107780879

IUPAC4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
SMILESCCc1nc(Cl)cc(Sc2ccoc2C)n1
InChIInChI=1S/C11H11ClN2OS/c1-3-10-13-9(12)6-11(14-10)16-8-4-5-15-7(8)2/h4-6H,3H2,1-2H3
InChIKeyMWRXWRNRBPGWDH-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.75
Rot. Bonds3

About 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine

4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine (PubChem CID 107780879) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
PubChem CID107780879
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
SMILESCCc1nc(Cl)cc(Sc2ccoc2C)n1
InChIInChI=1S/C11H11ClN2OS/c1-3-10-13-9(12)6-11(14-10)16-8-4-5-15-7(8)2/h4-6H,3H2,1-2H3
InChIKeyMWRXWRNRBPGWDH-UHFFFAOYSA-N
XLogP3.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80936034
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
4-chloro-2-ethyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80936390
4-chloro-2,6-diethylpyrimidine
CID 43557605
4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
CID 80945968
6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80936336
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473
4-chloro-2-ethyl-6-pentylsulfanylpyrimidine
CID 107751102
4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine
CID 80936473
N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107785223
5-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779233
4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine (CID 107780879) is 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine is CCc1nc(Cl)cc(Sc2ccoc2C)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine?
The InChIKey is MWRXWRNRBPGWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-3-10-13-9(12)6-11(14-10)16-8-4-5-15-7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine?
4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine has a molecular weight of 254.74 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine is sourced from PubChem (CID 107780879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).