2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one

C15H24N4OS2 — CID 71703345

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)N1CCSCC1
InChIInChI=1S/C15H24N4OS2/c1-11-10-12(2)17-15(16-11)18-13(4-7-21-3)14(20)19-5-8-22-9-6-19/h10,13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyNUPAWIZYXQGYQI-UHFFFAOYSA-N
MW340.52 g/mol
LogP2.20
Rot. Bonds6

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one

2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 71703345) has the molecular formula C15H24N4OS2 and a molecular weight of 340.52 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one
PubChem CID71703345
Molecular FormulaC15H24N4OS2
Molecular Weight340.52 g/mol
Exact Mass340.14
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)N1CCSCC1
InChIInChI=1S/C15H24N4OS2/c1-11-10-12(2)17-15(16-11)18-13(4-7-21-3)14(20)19-5-8-22-9-6-19/h10,13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyNUPAWIZYXQGYQI-UHFFFAOYSA-N
XLogP2.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one (CID 71703345) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one is CSCCC(Nc1nc(C)cc(C)n1)C(=O)N1CCSCC1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is NUPAWIZYXQGYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS2/c1-11-10-12(2)17-15(16-11)18-13(4-7-21-3)14(20)19-5-8-22-9-6-19/h10,13H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 340.52 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 71703345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).