2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine

C15H24N4O3S — CID 121017952

IUPAC2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(=O)(=O)N3CCCC3)CC2)nc(C)n1
InChIInChI=1S/C15H24N4O3S/c1-12-11-15(17-13(2)16-12)22-14-5-9-19(10-6-14)23(20,21)18-7-3-4-8-18/h11,14H,3-10H2,1-2H3
InChIKeyKQDFAUYMGJHRMV-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.28
Rot. Bonds4

About 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine

2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 121017952) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID121017952
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(=O)(=O)N3CCCC3)CC2)nc(C)n1
InChIInChI=1S/C15H24N4O3S/c1-12-11-15(17-13(2)16-12)22-14-5-9-19(10-6-14)23(20,21)18-7-3-4-8-18/h11,14H,3-10H2,1-2H3
InChIKeyKQDFAUYMGJHRMV-UHFFFAOYSA-N
XLogP1.28
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine (CID 121017952) is 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine is Cc1cc(OC2CCN(S(=O)(=O)N3CCCC3)CC2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is KQDFAUYMGJHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12-11-15(17-13(2)16-12)22-14-5-9-19(10-6-14)23(20,21)18-7-3-4-8-18/h11,14H,3-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 340.45 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 121017952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).