2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine

C20H21N3O4S — CID 121161712

IUPAC2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)n1
InChIInChI=1S/C20H21N3O4S/c1-26-20-21-12-9-19(22-20)27-16-10-13-23(14-11-16)28(24,25)18-8-4-6-15-5-2-3-7-17(15)18/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyRCJFFFPICQVTNY-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.87
Rot. Bonds5

About 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine

2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 121161712) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID121161712
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)n1
InChIInChI=1S/C20H21N3O4S/c1-26-20-21-12-9-19(22-20)27-16-10-13-23(14-11-16)28(24,25)18-8-4-6-15-5-2-3-7-17(15)18/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyRCJFFFPICQVTNY-UHFFFAOYSA-N
XLogP2.87
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1-(Naphthalen-2-ylsulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 71799155
2-((1-((5,6,7,8-Tetrahydronaphthalen-2-yl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 71799156
N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine
CID 74226388
4-(2,3,4,5,6-Pentamethylphenyl)sulfonyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholine
CID 74228041
4-((1-((4-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161634
4-((1-((2,4-Difluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161656
4-((1-((2-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161669
4-((1-((3-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161671
4-((1-((2,6-Difluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161681
2-Methoxy-4-((1-((3-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 121161683
2-Methoxy-4-((1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 121161684
4-((1-((2,5-Difluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161688

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine (CID 121161712) is 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine is COc1nccc(OC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)n1.
What is the InChIKey of 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is RCJFFFPICQVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-26-20-21-12-9-19(22-20)27-16-10-13-23(14-11-16)28(24,25)18-8-4-6-15-5-2-3-7-17(15)18/h2-9,12,16H,10-11,13-14H2,1H3.
What are the key properties of 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine?
2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 399.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 121161712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).