5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine

C14H16N2S — CID 135006023

IUPAC5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine
SMILESCCc1c(C)nc(C)nc1Sc1ccccc1
InChIInChI=1S/C14H16N2S/c1-4-13-10(2)15-11(3)16-14(13)17-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyGKSQXVWYMSIYGN-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.81
Rot. Bonds3

About 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine

5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine (PubChem CID 135006023) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine
PubChem CID135006023
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine
SMILESCCc1c(C)nc(C)nc1Sc1ccccc1
InChIInChI=1S/C14H16N2S/c1-4-13-10(2)15-11(3)16-14(13)17-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyGKSQXVWYMSIYGN-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine?
The IUPAC name of 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine (CID 135006023) is 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine.
What is the SMILES notation for 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine?
The canonical SMILES for 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine is CCc1c(C)nc(C)nc1Sc1ccccc1.
What is the InChIKey of 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine?
The InChIKey is GKSQXVWYMSIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-4-13-10(2)15-11(3)16-14(13)17-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine?
5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine has a molecular weight of 244.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethyl-6-phenylsulfanylpyrimidine is sourced from PubChem (CID 135006023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).