4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine

C19H30N4O6S2 — CID 46701353

IUPAC4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C19H30N4O6S2/c1-14-18(28-15-5-9-22(10-6-15)30(2,24)25)20-13-21-19(14)29-16-7-11-23(12-8-16)31(26,27)17-3-4-17/h13,15-17H,3-12H2,1-2H3
InChIKeyKKIFFBMMYFBDDU-UHFFFAOYSA-N
MW474.61 g/mol
LogP0.92
Rot. Bonds7

About 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine

4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 46701353) has the molecular formula C19H30N4O6S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID46701353
Molecular FormulaC19H30N4O6S2
Molecular Weight474.61 g/mol
Exact Mass474.16
IUPAC Name4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C19H30N4O6S2/c1-14-18(28-15-5-9-22(10-6-15)30(2,24)25)20-13-21-19(14)29-16-7-11-23(12-8-16)31(26,27)17-3-4-17/h13,15-17H,3-12H2,1-2H3
InChIKeyKKIFFBMMYFBDDU-UHFFFAOYSA-N
XLogP0.92
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 90245774
propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701216
4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 124892553
2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
CID 91626995
tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 158078856
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
7-(5-chloropyrimidin-2-yl)-9-[5-fluoro-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane
CID 53237761
(2,4-difluorophenyl)-[4-[5-methyl-6-[1-[[2-[4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carbonyl]-4-pyridinyl]methylsulfonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidin-1-yl]methanone
CID 135219588
6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine
CID 146636294
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
CID 88897667
CID 88897667
8-cyclopropylsulfonyl-3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]oct-6-ene
CID 58415079

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine (CID 46701353) is 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine is Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is KKIFFBMMYFBDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O6S2/c1-14-18(28-15-5-9-22(10-6-15)30(2,24)25)20-13-21-19(14)29-16-7-11-23(12-8-16)31(26,27)17-3-4-17/h13,15-17H,3-12H2,1-2H3.
What are the key properties of 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 474.61 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 46701353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).