N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C22H25N5O2S — CID 133306515

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O2S/c1-17-14-21(26-22(24-17)19-8-5-11-23-15-19)25-20-9-12-27(13-10-20)30(28,29)16-18-6-3-2-4-7-18/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,24,25,26)
InChIKeyCHSSDMGJMHLEIU-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.25
Rot. Bonds6

About N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133306515) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133306515
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O2S/c1-17-14-21(26-22(24-17)19-8-5-11-23-15-19)25-20-9-12-27(13-10-20)30(28,29)16-18-6-3-2-4-7-18/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,24,25,26)
InChIKeyCHSSDMGJMHLEIU-UHFFFAOYSA-N
XLogP3.25
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302283
N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579
N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 75433513
1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50976714
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95138091
N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
CID 133279464
N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
CID 133306530
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133306515) is N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is CHSSDMGJMHLEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-17-14-21(26-22(24-17)19-8-5-11-23-15-19)25-20-9-12-27(13-10-20)30(28,29)16-18-6-3-2-4-7-18/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,24,25,26).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 423.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133306515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).