6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one

C15H16N2OS — CID 132531741

IUPAC6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SC)nc(-c2ccc(C)cc2)cc1=O
InChIInChI=1S/C15H16N2OS/c1-4-9-17-14(18)10-13(16-15(17)19-3)12-7-5-11(2)6-8-12/h4-8,10H,1,9H2,2-3H3
InChIKeyQKRIBROMJCVSKM-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.13
Rot. Bonds4

About 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one

6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one (PubChem CID 132531741) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one
PubChem CID132531741
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SC)nc(-c2ccc(C)cc2)cc1=O
InChIInChI=1S/C15H16N2OS/c1-4-9-17-14(18)10-13(16-15(17)19-3)12-7-5-11(2)6-8-12/h4-8,10H,1,9H2,2-3H3
InChIKeyQKRIBROMJCVSKM-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methylphenyl)methyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one
CID 7748253
6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one
CID 3452610
3-(4-chlorophenyl)-5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazole
CID 78763664
5-(4-methylphenyl)-3-phenyl-1-prop-2-enylpyrazole
CID 134846626
2-methylsulfanyl-4,5-diphenyl-1-prop-2-enylimidazole
CID 102517224
3-[(2-chloro-6-fluorophenyl)methyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one
CID 7748257
5-benzyl-6-hydroxy-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one
CID 135402168
5,6-dimethyl-2-methylsulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 4049484
3-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
CID 2039910
3-ethyl-6-hydroxy-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-one;6-hydroxy-3-methyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-one;6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylpyrimidin-4-one
CID 159482823
2-(dimethylamino)-5-(4-methylphenyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-one
CID 162040872
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17297894

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one (CID 132531741) is 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(SC)nc(-c2ccc(C)cc2)cc1=O.
What is the InChIKey of 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is QKRIBROMJCVSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-4-9-17-14(18)10-13(16-15(17)19-3)12-7-5-11(2)6-8-12/h4-8,10H,1,9H2,2-3H3.
What are the key properties of 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one?
6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 272.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 132531741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).