2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine

C17H22N4O2S — CID 154780681

IUPAC2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(N2CCC(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-13-18-16(20-14-6-4-3-5-7-14)12-17(19-13)21-10-8-15(9-11-21)24(2,22)23/h3-7,12,15H,8-11H2,1-2H3,(H,18,19,20)
InChIKeyIRMCAJLXFIZOSL-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine

2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine (PubChem CID 154780681) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
PubChem CID154780681
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(N2CCC(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-13-18-16(20-14-6-4-3-5-7-14)12-17(19-13)21-10-8-15(9-11-21)24(2,22)23/h3-7,12,15H,8-11H2,1-2H3,(H,18,19,20)
InChIKeyIRMCAJLXFIZOSL-UHFFFAOYSA-N
XLogP2.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine
CID 170533665
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
CID 110271312
2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
CID 170533663
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
2-methyl-6-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112869239
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
3-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193379
2-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194821
2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 112876602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine (CID 154780681) is 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine is Cc1nc(Nc2ccccc2)cc(N2CCC(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
The InChIKey is IRMCAJLXFIZOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-18-16(20-14-6-4-3-5-7-14)12-17(19-13)21-10-8-15(9-11-21)24(2,22)23/h3-7,12,15H,8-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine?
2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine has a molecular weight of 346.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 154780681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).