5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one

C11H12N2OS — CID 136769471

IUPAC5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(-c2sccc2C)nc[nH]c1=O
InChIInChI=1S/C11H12N2OS/c1-3-8-9(12-6-13-11(8)14)10-7(2)4-5-15-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyUBHQLMHNVVERRC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.37
Rot. Bonds2

About 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one

5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 136769471) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID136769471
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(-c2sccc2C)nc[nH]c1=O
InChIInChI=1S/C11H12N2OS/c1-3-8-9(12-6-13-11(8)14)10-7(2)4-5-15-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyUBHQLMHNVVERRC-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

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Related Compounds

4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136955513
4-(4-tert-butylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136692482
5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 136696919
5-ethyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692786
5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
CID 136955627
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136692126
5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692282
4-(4-chloro-3-methoxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136769434
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
CID 79992418
4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136770221
4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 136692913
3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole
CID 131886182

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (CID 136769471) is 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is CCc1c(-c2sccc2C)nc[nH]c1=O.
What is the InChIKey of 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is UBHQLMHNVVERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-8-9(12-6-13-11(8)14)10-7(2)4-5-15-10/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
5-ethyl-4-(3-methylthiophen-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-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).