4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine

C14H20F3N3O3S — CID 122258222

IUPAC4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)CCC(F)(F)F)C2)n1
InChIInChI=1S/C14H20F3N3O3S/c1-10-8-11(2)19-13(18-10)23-12-4-3-6-20(9-12)24(21,22)7-5-14(15,16)17/h8,12H,3-7,9H2,1-2H3
InChIKeyTUKGVHZHEXMYJT-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.22
Rot. Bonds5

About 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine

4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine (PubChem CID 122258222) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine
PubChem CID122258222
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)CCC(F)(F)F)C2)n1
InChIInChI=1S/C14H20F3N3O3S/c1-10-8-11(2)19-13(18-10)23-12-4-3-6-20(9-12)24(21,22)7-5-14(15,16)17/h8,12H,3-7,9H2,1-2H3
InChIKeyTUKGVHZHEXMYJT-UHFFFAOYSA-N
XLogP2.22
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine?
The IUPAC name of 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine (CID 122258222) is 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine is Cc1cc(C)nc(OC2CCCN(S(=O)(=O)CCC(F)(F)F)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine?
The InChIKey is TUKGVHZHEXMYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-10-8-11(2)19-13(18-10)23-12-4-3-6-20(9-12)24(21,22)7-5-14(15,16)17/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine?
4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine has a molecular weight of 367.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122258222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).