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

C20H21N3O3S — CID 121162798

IUPAC2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1nccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C20H21N3O3S/c1-15-21-11-8-20(22-15)26-18-9-12-23(13-10-18)27(24,25)19-7-6-16-4-2-3-5-17(16)14-19/h2-8,11,14,18H,9-10,12-13H2,1H3
InChIKeyVQBYCVOWMDFDTQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.17
Rot. Bonds4

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

2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 121162798) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID121162798
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1nccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C20H21N3O3S/c1-15-21-11-8-20(22-15)26-18-9-12-23(13-10-18)27(24,25)19-7-6-16-4-2-3-5-17(16)14-19/h2-8,11,14,18H,9-10,12-13H2,1H3
InChIKeyVQBYCVOWMDFDTQ-UHFFFAOYSA-N
XLogP3.17
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)oxy)ethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 45502678
N-(6-methoxypyrimidin-4-yl)naphthalene-2-sulfonamide
CID 71795760
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
2-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenoxy)pyrimidine
CID 56575677
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-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161669
4-((1-((3-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161671
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine (CID 121162798) is 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine is Cc1nccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1.
What is the InChIKey of 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is VQBYCVOWMDFDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-21-11-8-20(22-15)26-18-9-12-23(13-10-18)27(24,25)19-7-6-16-4-2-3-5-17(16)14-19/h2-8,11,14,18H,9-10,12-13H2,1H3.
What are the key properties of 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 383.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 121162798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).