3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine

C17H24N6S — CID 56709413

IUPAC3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCCSc1ncc(CN2CCN(c3nc(C)cnc3C)CC2)cn1
InChIInChI=1S/C17H24N6S/c1-4-24-17-19-10-15(11-20-17)12-22-5-7-23(8-6-22)16-14(3)18-9-13(2)21-16/h9-11H,4-8,12H2,1-3H3
InChIKeyVSZUBRRJZWPTCK-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.32
Rot. Bonds5

About 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine

3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine (PubChem CID 56709413) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
PubChem CID56709413
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC Name3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCCSc1ncc(CN2CCN(c3nc(C)cnc3C)CC2)cn1
InChIInChI=1S/C17H24N6S/c1-4-24-17-19-10-15(11-20-17)12-22-5-7-23(8-6-22)16-14(3)18-9-13(2)21-16/h9-11H,4-8,12H2,1-3H3
InChIKeyVSZUBRRJZWPTCK-UHFFFAOYSA-N
XLogP2.32
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine (CID 56709413) is 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine is CCSc1ncc(CN2CCN(c3nc(C)cnc3C)CC2)cn1.
What is the InChIKey of 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is VSZUBRRJZWPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-4-24-17-19-10-15(11-20-17)12-22-5-7-23(8-6-22)16-14(3)18-9-13(2)21-16/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 344.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 56709413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).