3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide

C15H20N4O3S — CID 127622650

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCC(=O)NC2=O)c(C)n1
InChIInChI=1S/C15H20N4O3S/c1-8-10(9(2)17-15(16-8)23-3)4-6-12(20)18-11-5-7-13(21)19-14(11)22/h11H,4-7H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeySTCBFKBASKYPGJ-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.67
Rot. Bonds5

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide (PubChem CID 127622650) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide
PubChem CID127622650
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCC(=O)NC2=O)c(C)n1
InChIInChI=1S/C15H20N4O3S/c1-8-10(9(2)17-15(16-8)23-3)4-6-12(20)18-11-5-7-13(21)19-14(11)22/h11H,4-7H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeySTCBFKBASKYPGJ-UHFFFAOYSA-N
XLogP0.67
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide (CID 127622650) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide is CSc1nc(C)c(CCC(=O)NC2CCC(=O)NC2=O)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide?
The InChIKey is STCBFKBASKYPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-8-10(9(2)17-15(16-8)23-3)4-6-12(20)18-11-5-7-13(21)19-14(11)22/h11H,4-7H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide is sourced from PubChem (CID 127622650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).