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

C9H8N2OS — CID 135418928

IUPAC4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccs2)n1
InChIInChI=1S/C9H8N2OS/c1-6-5-8(12)11-9(10-6)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12)
InChIKeyTYKIRFJIWDATLM-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

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

4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 135418928) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID135418928
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccs2)n1
InChIInChI=1S/C9H8N2OS/c1-6-5-8(12)11-9(10-6)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12)
InChIKeyTYKIRFJIWDATLM-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135446332
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784809
5-hydroxy-N-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094876
5,6-Dimethyl-2-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 784808
5-hydroxy-6-oxo-N-propyl-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094877
1-[(Z)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]-6-methylpyrimidine-2,4-dione
CID 145988275
2-sec-butylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511205
2-(1-Aminocyclopentyl)-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one
CID 135966771
2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 135966772
Cambridge id 5990915
CID 793395
5-tert-butyl-2-methyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 67095699
2-(6-oxo-4-propylpyrimidin-1(6H)-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 44069716

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 135418928) is 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2cccs2)n1.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is TYKIRFJIWDATLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-5-8(12)11-9(10-6)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12).
What are the key properties of 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).