2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

C11H10N2O3S — CID 136907981

IUPAC2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1ccc(Sc2nc(C)cc(=O)[nH]2)o1
InChIInChI=1S/C11H10N2O3S/c1-6-5-9(15)13-11(12-6)17-10-4-3-8(16-10)7(2)14/h3-5H,1-2H3,(H,12,13,15)
InChIKeyFUXAPXVDERXZQX-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.03
Rot. Bonds3

About 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136907981) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136907981
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1ccc(Sc2nc(C)cc(=O)[nH]2)o1
InChIInChI=1S/C11H10N2O3S/c1-6-5-9(15)13-11(12-6)17-10-4-3-8(16-10)7(2)14/h3-5H,1-2H3,(H,12,13,15)
InChIKeyFUXAPXVDERXZQX-UHFFFAOYSA-N
XLogP2.03
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone
CID 104651931
2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968118
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-nitrobenzoic acid
CID 135895414
N-[4-hydroxy-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]acetamide
CID 177386993
S-(4-methyl-6-oxo-1H-pyrimidin-2-yl) furan-2-carbothioate
CID 135515749
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
CID 145098806
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-methylsulfanylbenzoic acid
CID 136695147
2-[4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid
CID 136817545
4-chloro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzaldehyde
CID 137005032
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
CID 62206739
3-fluoro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886230
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135410546

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136907981) is 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is CC(=O)c1ccc(Sc2nc(C)cc(=O)[nH]2)o1.
What is the InChIKey of 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FUXAPXVDERXZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6-5-9(15)13-11(12-6)17-10-4-3-8(16-10)7(2)14/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 250.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136907981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).