4,5,6-trimethyl-2-propylsulfanylpyrimidine

C10H16N2S — CID 90393527

IUPAC4,5,6-trimethyl-2-propylsulfanylpyrimidine
SMILESCCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C10H16N2S/c1-5-6-13-10-11-8(3)7(2)9(4)12-10/h5-6H2,1-4H3
InChIKeyLMJBTFXLCIJSIZ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.90
Rot. Bonds3

About 4,5,6-trimethyl-2-propylsulfanylpyrimidine

4,5,6-trimethyl-2-propylsulfanylpyrimidine (PubChem CID 90393527) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-propylsulfanylpyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-propylsulfanylpyrimidine
PubChem CID90393527
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4,5,6-trimethyl-2-propylsulfanylpyrimidine
SMILESCCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C10H16N2S/c1-5-6-13-10-11-8(3)7(2)9(4)12-10/h5-6H2,1-4H3
InChIKeyLMJBTFXLCIJSIZ-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-propylsulfanylpyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-propylsulfanylpyrimidine (CID 90393527) is 4,5,6-trimethyl-2-propylsulfanylpyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-propylsulfanylpyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-propylsulfanylpyrimidine is CCCSc1nc(C)c(C)c(C)n1.
What is the InChIKey of 4,5,6-trimethyl-2-propylsulfanylpyrimidine?
The InChIKey is LMJBTFXLCIJSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-5-6-13-10-11-8(3)7(2)9(4)12-10/h5-6H2,1-4H3.
What are the key properties of 4,5,6-trimethyl-2-propylsulfanylpyrimidine?
4,5,6-trimethyl-2-propylsulfanylpyrimidine has a molecular weight of 196.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-propylsulfanylpyrimidine is sourced from PubChem (CID 90393527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).