6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one

C11H10N2OS — CID 3239037

IUPAC6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one
SMILESCc1cc(=O)[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C11H10N2OS/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14,15)
InChIKeyKNYHXOFNESFOGH-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.20
Rot. Bonds1

About 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one

6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 3239037) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one
PubChem CID3239037
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one
SMILESCc1cc(=O)[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C11H10N2OS/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14,15)
InChIKeyKNYHXOFNESFOGH-UHFFFAOYSA-N
XLogP2.20
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Merbarone
CID 4990817
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
1-Acetyl-3-phenyl-2-thiourea
CID 853886
6-anilino-3-methyl-1H-pyrimidine-2,4-dione
CID 777246
3-methyl-6-(methylamino)-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 3549761
6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 3000671
N-((Phenylamino)carbonyl)acetamide
CID 66877
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
N-[4-({[(cyclopropylcarbonyl)amino]carbothioyl}amino)phenyl]acetamide
CID 833425
N-[(2-fluorophenyl)carbamothioyl]acetamide
CID 2235536
6-(methylanilino)-2,4(1H,3H)-pyrimidinedione
CID 309819

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one (CID 3239037) is 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one is Cc1cc(=O)[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is KNYHXOFNESFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14,15).
What are the key properties of 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one?
6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 218.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 3239037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).