4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

C16H21N5OS — CID 154575638

IUPAC4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCSc1nc(C)cc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-12-9-14(20-16(19-12)23-2)21-7-3-13(4-8-21)11-22-15-10-17-5-6-18-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyDHGGDBMSUIWABK-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.59
Rot. Bonds5

About 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154575638) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154575638
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCSc1nc(C)cc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-12-9-14(20-16(19-12)23-2)21-7-3-13(4-8-21)11-22-15-10-17-5-6-18-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyDHGGDBMSUIWABK-UHFFFAOYSA-N
XLogP2.59
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154575638) is 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is CSc1nc(C)cc(N2CCC(COc3cnccn3)CC2)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is DHGGDBMSUIWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-12-9-14(20-16(19-12)23-2)21-7-3-13(4-8-21)11-22-15-10-17-5-6-18-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 331.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154575638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).