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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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).