4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine

C19H26N4O5S — CID 141186091

IUPAC4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine
SMILESCOCCS(=O)(=O)c1ccc(Oc2ncnc(OC3CCNCC3)c2C)c(C)n1
InChIInChI=1S/C19H26N4O5S/c1-13-18(27-15-6-8-20-9-7-15)21-12-22-19(13)28-16-4-5-17(23-14(16)2)29(24,25)11-10-26-3/h4-5,12,15,20H,6-11H2,1-3H3
InChIKeyUIRGWPUINLRWGV-UHFFFAOYSA-N
MW422.51 g/mol
LogP1.83
Rot. Bonds8

About 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine

4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine (PubChem CID 141186091) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine
PubChem CID141186091
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC Name4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine
SMILESCOCCS(=O)(=O)c1ccc(Oc2ncnc(OC3CCNCC3)c2C)c(C)n1
InChIInChI=1S/C19H26N4O5S/c1-13-18(27-15-6-8-20-9-7-15)21-12-22-19(13)28-16-4-5-17(23-14(16)2)29(24,25)11-10-26-3/h4-5,12,15,20H,6-11H2,1-3H3
InChIKeyUIRGWPUINLRWGV-UHFFFAOYSA-N
XLogP1.83
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine with MolForge

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Related Compounds

5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid
CID 158189450
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide
CID 141105707
butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700959
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
CID 141105746
4-[2,5-difluoro-4-(2-methylsulfonylethyl)phenoxy]-5-methyl-6-piperidin-4-yloxypyrimidine;propan-2-yl formate
CID 160552206
propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700963
(1-ethylcyclopropyl) 4-[5-fluoro-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 118711776
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
2,6-dimethyl-3-piperidin-4-yloxypyridine;hydrochloride
CID 154573872
1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine
CID 87578645

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine?
The IUPAC name of 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine (CID 141186091) is 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine?
The canonical SMILES for 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine is COCCS(=O)(=O)c1ccc(Oc2ncnc(OC3CCNCC3)c2C)c(C)n1.
What is the InChIKey of 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine?
The InChIKey is UIRGWPUINLRWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-13-18(27-15-6-8-20-9-7-15)21-12-22-19(13)28-16-4-5-17(23-14(16)2)29(24,25)11-10-26-3/h4-5,12,15,20H,6-11H2,1-3H3.
What are the key properties of 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine?
4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine has a molecular weight of 422.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 141186091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).