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

C23H27N5O2S — CID 133306579

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H27N5O2S/c1-2-19-16-22(27-23(26-19)21-10-6-7-13-24-21)25-20-11-14-28(15-12-20)31(29,30)17-18-8-4-3-5-9-18/h3-10,13,16,20H,2,11-12,14-15,17H2,1H3,(H,25,26,27)
InChIKeyAUKUZSQHCBBUKA-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.51
Rot. Bonds7

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

N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 133306579) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID133306579
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H27N5O2S/c1-2-19-16-22(27-23(26-19)21-10-6-7-13-24-21)25-20-11-14-28(15-12-20)31(29,30)17-18-8-4-3-5-9-18/h3-10,13,16,20H,2,11-12,14-15,17H2,1H3,(H,25,26,27)
InChIKeyAUKUZSQHCBBUKA-UHFFFAOYSA-N
XLogP3.51
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopentylpyrrolidin-3-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 127299851
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133306577
6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302262
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133348579
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 75433513
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585
N-(1-benzylsulfonylpiperidin-4-yl)-6-nitroquinolin-2-amine
CID 133306596
N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
CID 133306530

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 133306579) is N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine is CCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is AUKUZSQHCBBUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-2-19-16-22(27-23(26-19)21-10-6-7-13-24-21)25-20-11-14-28(15-12-20)31(29,30)17-18-8-4-3-5-9-18/h3-10,13,16,20H,2,11-12,14-15,17H2,1H3,(H,25,26,27).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 437.57 g/mol, XLogP of 3.51, 7 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-ethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133306579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).