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

C15H19N5OS — CID 154583173

IUPAC2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C15H19N5OS/c1-22-15-18-5-2-13(19-15)20-8-3-12(4-9-20)11-21-14-10-16-6-7-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3
InChIKeyLPBBWOYTPVCTSV-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.28
Rot. Bonds5

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

2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154583173) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154583173
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C15H19N5OS/c1-22-15-18-5-2-13(19-15)20-8-3-12(4-9-20)11-21-14-10-16-6-7-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3
InChIKeyLPBBWOYTPVCTSV-UHFFFAOYSA-N
XLogP2.28
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956
5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154575549
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154583110
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154575945
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154581269
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine
CID 154575875
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
CID 155975796
2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154829858

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154583173) is 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is CSc1nccc(N2CCC(COc3cnccn3)CC2)n1.
What is the InChIKey of 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is LPBBWOYTPVCTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-22-15-18-5-2-13(19-15)20-8-3-12(4-9-20)11-21-14-10-16-6-7-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3.
What are the key properties of 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 317.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154583173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).