4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine

C14H15ClN2S — CID 80977646

IUPAC4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Sc2ccccc2C)n1
InChIInChI=1S/C14H15ClN2S/c1-4-12-16-13(15)10(3)14(17-12)18-11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3
InChIKeyDVIKJOIBGBCLGK-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine

4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine (PubChem CID 80977646) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine
PubChem CID80977646
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Sc2ccccc2C)n1
InChIInChI=1S/C14H15ClN2S/c1-4-12-16-13(15)10(3)14(17-12)18-11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3
InChIKeyDVIKJOIBGBCLGK-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine (CID 80977646) is 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine is CCc1nc(Cl)c(C)c(Sc2ccccc2C)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine?
The InChIKey is DVIKJOIBGBCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-4-12-16-13(15)10(3)14(17-12)18-11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine?
4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine has a molecular weight of 278.81 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 80977646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).