6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine

C16H21N5O2S — CID 170533665

IUPAC6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Nc2ccccc2)cc(N2CCC(N)CC2)n1
InChIInChI=1S/C16H21N5O2S/c1-24(22,23)16-19-14(18-13-5-3-2-4-6-13)11-15(20-16)21-9-7-12(17)8-10-21/h2-6,11-12H,7-10,17H2,1H3,(H,18,19,20)
InChIKeySVHXSGRQWUDFMS-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.55
Rot. Bonds4

About 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine

6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine (PubChem CID 170533665) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine
PubChem CID170533665
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Nc2ccccc2)cc(N2CCC(N)CC2)n1
InChIInChI=1S/C16H21N5O2S/c1-24(22,23)16-19-14(18-13-5-3-2-4-6-13)11-15(20-16)21-9-7-12(17)8-10-21/h2-6,11-12H,7-10,17H2,1H3,(H,18,19,20)
InChIKeySVHXSGRQWUDFMS-UHFFFAOYSA-N
XLogP1.55
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
CID 170533663
6-(4-aminopiperidin-1-yl)-N-(3-bromo-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-amine
CID 163290505
2-methyl-6-(4-methylsulfonylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 154780681
tert-butyl 4-(6-anilino-2-methylsulfonylpyrimidin-4-yl)piperazine-1-carboxylate
CID 170442084
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine
CID 139300257
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
CID 110271312
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
1-(6-methyl-2-methylsulfonylpyrimidin-4-yl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 59650298
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
sulfanyl 4-[[6-(4-hydroxypiperidin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 89021802

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine (CID 170533665) is 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine is CS(=O)(=O)c1nc(Nc2ccccc2)cc(N2CCC(N)CC2)n1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
The InChIKey is SVHXSGRQWUDFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-24(22,23)16-19-14(18-13-5-3-2-4-6-13)11-15(20-16)21-9-7-12(17)8-10-21/h2-6,11-12H,7-10,17H2,1H3,(H,18,19,20).
What are the key properties of 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine?
6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 170533665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).