5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one

C11H12N2OS — CID 135996598

IUPAC5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H12N2OS/c1-3-8-7(2)12-10(13-11(8)14)9-5-4-6-15-9/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyMKMGAANZNUDWIS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.37
Rot. Bonds2

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

5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 135996598) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID135996598
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H12N2OS/c1-3-8-7(2)12-10(13-11(8)14)9-5-4-6-15-9/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyMKMGAANZNUDWIS-UHFFFAOYSA-N
XLogP2.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-4-methyl-2-thiophen-2-yl-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 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 135996598) is 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one is CCc1c(C)nc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is MKMGAANZNUDWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-8-7(2)12-10(13-11(8)14)9-5-4-6-15-9/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 220.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135996598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).