2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine

C16H26N4O2S — CID 138020046

IUPAC2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
SMILESCc1cc(N2CCC(S(=O)(=O)N3CCCCC3)CC2)nc(C)n1
InChIInChI=1S/C16H26N4O2S/c1-13-12-16(18-14(2)17-13)19-10-6-15(7-11-19)23(21,22)20-8-4-3-5-9-20/h12,15H,3-11H2,1-2H3
InChIKeyZKQASFHQLYTRAO-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.88
Rot. Bonds3

About 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine

2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine (PubChem CID 138020046) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
PubChem CID138020046
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
SMILESCc1cc(N2CCC(S(=O)(=O)N3CCCCC3)CC2)nc(C)n1
InChIInChI=1S/C16H26N4O2S/c1-13-12-16(18-14(2)17-13)19-10-6-15(7-11-19)23(21,22)20-8-4-3-5-9-20/h12,15H,3-11H2,1-2H3
InChIKeyZKQASFHQLYTRAO-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 75506279
N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 122348324
1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 163346171
[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 138988774
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
CID 146106523
N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122340459
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine
CID 133383773
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 5303878

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine (CID 138020046) is 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine is Cc1cc(N2CCC(S(=O)(=O)N3CCCCC3)CC2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
The InChIKey is ZKQASFHQLYTRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-12-16(18-14(2)17-13)19-10-6-15(7-11-19)23(21,22)20-8-4-3-5-9-20/h12,15H,3-11H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine?
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine has a molecular weight of 338.48 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 138020046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).