3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine

C15H18BrN5O — CID 163349116

IUPAC3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C15H18BrN5O/c1-10-7-17-11(2)14(20-10)22-13-3-5-21(6-4-13)15-18-8-12(16)9-19-15/h7-9,13H,3-6H2,1-2H3
InChIKeyLTAKXUJNFBKQMA-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.69
Rot. Bonds3

About 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine

3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (PubChem CID 163349116) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
PubChem CID163349116
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C15H18BrN5O/c1-10-7-17-11(2)14(20-10)22-13-3-5-21(6-4-13)15-18-8-12(16)9-19-15/h7-9,13H,3-6H2,1-2H3
InChIKeyLTAKXUJNFBKQMA-UHFFFAOYSA-N
XLogP2.69
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The IUPAC name of 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (CID 163349116) is 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The canonical SMILES for 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is Cc1cnc(C)c(OC2CCN(c3ncc(Br)cn3)CC2)n1.
What is the InChIKey of 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The InChIKey is LTAKXUJNFBKQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-10-7-17-11(2)14(20-10)22-13-3-5-21(6-4-13)15-18-8-12(16)9-19-15/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine has a molecular weight of 364.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is sourced from PubChem (CID 163349116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).