4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine

C11H17N3O3S — CID 90245774

IUPAC4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C11H17N3O3S/c1-9-7-11(13-8-12-9)17-10-3-5-14(6-4-10)18(2,15)16/h7-8,10H,3-6H2,1-2H3
InChIKeyYWCJCTOVLMFFQV-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.59
Rot. Bonds3

About 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine

4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 90245774) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID90245774
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C11H17N3O3S/c1-9-7-11(13-8-12-9)17-10-3-5-14(6-4-10)18(2,15)16/h7-8,10H,3-6H2,1-2H3
InChIKeyYWCJCTOVLMFFQV-UHFFFAOYSA-N
XLogP0.59
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine (CID 90245774) is 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine is Cc1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.
What is the InChIKey of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is YWCJCTOVLMFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9-7-11(13-8-12-9)17-10-3-5-14(6-4-10)18(2,15)16/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 271.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 90245774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).