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

C16H20N4OS — CID 166605956

IUPAC2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCC(COc3ccccn3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-22-16-18-9-5-14(19-16)20-10-6-13(7-11-20)12-21-15-4-2-3-8-17-15/h2-5,8-9,13H,6-7,10-12H2,1H3
InChIKeyDAKZJWAYOQLDTM-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.89
Rot. Bonds5

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

2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 166605956) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID166605956
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCSc1nccc(N2CCC(COc3ccccn3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-22-16-18-9-5-14(19-16)20-10-6-13(7-11-20)12-21-15-4-2-3-8-17-15/h2-5,8-9,13H,6-7,10-12H2,1H3
InChIKeyDAKZJWAYOQLDTM-UHFFFAOYSA-N
XLogP2.89
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154583173
2-fluoro-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349592
3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
CID 133349542
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]quinoline
CID 133349552
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169
6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 126874369
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 155975756
3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
CID 126874409
2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349588
5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874109

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 166605956) is 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine is CSc1nccc(N2CCC(COc3ccccn3)CC2)n1.
What is the InChIKey of 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is DAKZJWAYOQLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-22-16-18-9-5-14(19-16)20-10-6-13(7-11-20)12-21-15-4-2-3-8-17-15/h2-5,8-9,13H,6-7,10-12H2,1H3.
What are the key properties of 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 316.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 166605956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).