4-ethyl-6-methoxy-2-methylsulfanylpyrimidine

C8H12N2OS — CID 89008089

IUPAC4-ethyl-6-methoxy-2-methylsulfanylpyrimidine
SMILESCCc1cc(OC)nc(SC)n1
InChIInChI=1S/C8H12N2OS/c1-4-6-5-7(11-2)10-8(9-6)12-3/h5H,4H2,1-3H3
InChIKeyNHDQVJHXJDJLAV-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.77
Rot. Bonds3

About 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine

4-ethyl-6-methoxy-2-methylsulfanylpyrimidine (PubChem CID 89008089) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-methoxy-2-methylsulfanylpyrimidine
PubChem CID89008089
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-ethyl-6-methoxy-2-methylsulfanylpyrimidine
SMILESCCc1cc(OC)nc(SC)n1
InChIInChI=1S/C8H12N2OS/c1-4-6-5-7(11-2)10-8(9-6)12-3/h5H,4H2,1-3H3
InChIKeyNHDQVJHXJDJLAV-UHFFFAOYSA-N
XLogP1.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine (CID 89008089) is 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine is CCc1cc(OC)nc(SC)n1.
What is the InChIKey of 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine?
The InChIKey is NHDQVJHXJDJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-6-5-7(11-2)10-8(9-6)12-3/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine?
4-ethyl-6-methoxy-2-methylsulfanylpyrimidine has a molecular weight of 184.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 89008089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).