4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C8H12N2OS — CID 135450645

IUPAC4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCCc1nc(SC)[nH]c(=O)c1C
InChIInChI=1S/C8H12N2OS/c1-4-6-5(2)7(11)10-8(9-6)12-3/h4H2,1-3H3,(H,9,10,11)
InChIKeyOZVXXGWCGZRSOU-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.36
Rot. Bonds2

About 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135450645) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135450645
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCCc1nc(SC)[nH]c(=O)c1C
InChIInChI=1S/C8H12N2OS/c1-4-6-5(2)7(11)10-8(9-6)12-3/h4H2,1-3H3,(H,9,10,11)
InChIKeyOZVXXGWCGZRSOU-UHFFFAOYSA-N
XLogP1.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one 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-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135450645) is 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CCc1nc(SC)[nH]c(=O)c1C.
What is the InChIKey of 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is OZVXXGWCGZRSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-6-5(2)7(11)10-8(9-6)12-3/h4H2,1-3H3,(H,9,10,11).
What are the key properties of 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 184.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135450645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).