2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine

C16H21N5OS — CID 163351151

IUPAC2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine
SMILESCSc1nccc(N2CCC(Oc3nc(C)cnc3C)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-11-10-18-12(2)15(19-11)22-13-5-8-21(9-6-13)14-4-7-17-16(20-14)23-3/h4,7,10,13H,5-6,8-9H2,1-3H3
InChIKeyMAFREBLBYIXZDS-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.65
Rot. Bonds4

About 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine

2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine (PubChem CID 163351151) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine
PubChem CID163351151
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine
SMILESCSc1nccc(N2CCC(Oc3nc(C)cnc3C)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-11-10-18-12(2)15(19-11)22-13-5-8-21(9-6-13)14-4-7-17-16(20-14)23-3/h4,7,10,13H,5-6,8-9H2,1-3H3
InChIKeyMAFREBLBYIXZDS-UHFFFAOYSA-N
XLogP2.65
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine?
The IUPAC name of 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine (CID 163351151) is 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine is CSc1nccc(N2CCC(Oc3nc(C)cnc3C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine?
The InChIKey is MAFREBLBYIXZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-10-18-12(2)15(19-11)22-13-5-8-21(9-6-13)14-4-7-17-16(20-14)23-3/h4,7,10,13H,5-6,8-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine?
2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine has a molecular weight of 331.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 163351151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).