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

C16H20BrN5OS — CID 163351280

IUPAC3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCSc1ncc(Br)c(N2CCC(Oc3nc(C)cnc3C)CC2)n1
InChIInChI=1S/C16H20BrN5OS/c1-10-8-18-11(2)15(20-10)23-12-4-6-22(7-5-12)14-13(17)9-19-16(21-14)24-3/h8-9,12H,4-7H2,1-3H3
InChIKeyKYZFIXVAQOMAHM-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.42
Rot. Bonds4

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

3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (PubChem CID 163351280) has the molecular formula C16H20BrN5OS and a molecular weight of 410.34 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
PubChem CID163351280
Molecular FormulaC16H20BrN5OS
Molecular Weight410.34 g/mol
Exact Mass409.06
IUPAC Name3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCSc1ncc(Br)c(N2CCC(Oc3nc(C)cnc3C)CC2)n1
InChIInChI=1S/C16H20BrN5OS/c1-10-8-18-11(2)15(20-10)23-12-4-6-22(7-5-12)14-13(17)9-19-16(21-14)24-3/h8-9,12H,4-7H2,1-3H3
InChIKeyKYZFIXVAQOMAHM-UHFFFAOYSA-N
XLogP3.42
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-2-methylsulfanylpyrimidine
CID 165435366
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172893574
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 163350288
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 163348981
8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 163349442
4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163350566
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345409
5-bromo-4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 171702205
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431697
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-4-cyclopropylsulfonyl-1,4-diazepane
CID 154583443
2,5-dimethyl-3-piperidin-4-yloxypyrazine;dihydrochloride
CID 171700740
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171993187

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The IUPAC name of 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (CID 163351280) is 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The canonical SMILES for 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is CSc1ncc(Br)c(N2CCC(Oc3nc(C)cnc3C)CC2)n1.
What is the InChIKey of 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The InChIKey is KYZFIXVAQOMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5OS/c1-10-8-18-11(2)15(20-10)23-12-4-6-22(7-5-12)14-13(17)9-19-16(21-14)24-3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine has a molecular weight of 410.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is sourced from PubChem (CID 163351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).