(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione

C11H10N2O2S — CID 129385795

IUPAC(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
SMILESCSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1
InChIInChI=1S/C11H10N2O2S/c1-16-11-12-9(14)8(10(15)13-11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,13,14,15)
InChIKeyPSQFECDXLJGLOK-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.15
Rot. Bonds1

About (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione

(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione (PubChem CID 129385795) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
PubChem CID129385795
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
SMILESCSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1
InChIInChI=1S/C11H10N2O2S/c1-16-11-12-9(14)8(10(15)13-11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,13,14,15)
InChIKeyPSQFECDXLJGLOK-UHFFFAOYSA-N
XLogP1.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopentan-3-yl)-5-phenyl-1H-pyrimidine-4,6-dione
CID 79502312
2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2952796
N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2890791
2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione
CID 79501110
N-(5-bromo-2-pyridinyl)-2-[[(5R)-4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 1118803
4-phenylpyrazole-3,5-dione
CID 57268798
5-phenyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 79502730
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 817582
(4Z)-4-benzylidene-5,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135580499
2-(2-aminopropan-2-yl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79501726
(3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione
CID 92533344

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione?
The IUPAC name of (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione (CID 129385795) is (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione is CSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1.
What is the InChIKey of (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione?
The InChIKey is PSQFECDXLJGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-11-12-9(14)8(10(15)13-11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,13,14,15).
What are the key properties of (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione?
(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione has a molecular weight of 234.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 129385795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).