4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine

C11H11ClN2S2 — CID 80978184

IUPAC4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Sc2cccs2)n1
InChIInChI=1S/C11H11ClN2S2/c1-3-8-13-10(12)7(2)11(14-8)16-9-5-4-6-15-9/h4-6H,3H2,1-2H3
InChIKeyPNULTXVITFNZSI-UHFFFAOYSA-N
MW270.81 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine

4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine (PubChem CID 80978184) has the molecular formula C11H11ClN2S2 and a molecular weight of 270.81 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
PubChem CID80978184
Molecular FormulaC11H11ClN2S2
Molecular Weight270.81 g/mol
Exact Mass270.01
IUPAC Name4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Sc2cccs2)n1
InChIInChI=1S/C11H11ClN2S2/c1-3-8-13-10(12)7(2)11(14-8)16-9-5-4-6-15-9/h4-6H,3H2,1-2H3
InChIKeyPNULTXVITFNZSI-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399
4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80977646
2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine
CID 102752219
2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine
CID 79073513
6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80972540
6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine
CID 115474595
1-chloro-4-thiophen-2-ylsulfanylphthalazine
CID 62140617
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
CID 80978191
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine (CID 80978184) is 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine is CCc1nc(Cl)c(C)c(Sc2cccs2)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine?
The InChIKey is PNULTXVITFNZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S2/c1-3-8-13-10(12)7(2)11(14-8)16-9-5-4-6-15-9/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine?
4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine has a molecular weight of 270.81 g/mol, XLogP of 4.21, 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-5-methyl-6-thiophen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 80978184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).