4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine

C23H27N5O2S — CID 110268414

IUPAC4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3ccnc(Nc4ncccc4C)n3)C2)cc1C
InChIInChI=1S/C23H27N5O2S/c1-16-8-9-20(14-18(16)3)31(29,30)28-13-5-7-19(15-28)21-10-12-25-23(26-21)27-22-17(2)6-4-11-24-22/h4,6,8-12,14,19H,5,7,13,15H2,1-3H3,(H,24,25,26,27)
InChIKeySPEUONYDZWGXHM-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.11
Rot. Bonds5

About 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine

4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 110268414) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
PubChem CID110268414
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3ccnc(Nc4ncccc4C)n3)C2)cc1C
InChIInChI=1S/C23H27N5O2S/c1-16-8-9-20(14-18(16)3)31(29,30)28-13-5-7-19(15-28)21-10-12-25-23(26-21)27-22-17(2)6-4-11-24-22/h4,6,8-12,14,19H,5,7,13,15H2,1-3H3,(H,24,25,26,27)
InChIKeySPEUONYDZWGXHM-UHFFFAOYSA-N
XLogP4.11
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 95837598
4-N-[4-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 124945204
N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95837440
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663
4-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837666
2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110265497
4-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837996

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine (CID 110268414) is 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine is Cc1ccc(S(=O)(=O)N2CCCC(c3ccnc(Nc4ncccc4C)n3)C2)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is SPEUONYDZWGXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-16-8-9-20(14-18(16)3)31(29,30)28-13-5-7-19(15-28)21-10-12-25-23(26-21)27-22-17(2)6-4-11-24-22/h4,6,8-12,14,19H,5,7,13,15H2,1-3H3,(H,24,25,26,27).
What are the key properties of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine?
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 437.57 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 110268414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).