N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine

C18H24N4O2S — CID 133306595

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-14-12-15(2)20-18(19-14)21-17-8-10-22(11-9-17)25(23,24)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,19,20,21)
InChIKeyQEYNMQONWMTHFB-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.50
Rot. Bonds5

About N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine

N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 133306595) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID133306595
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-14-12-15(2)20-18(19-14)21-17-8-10-22(11-9-17)25(23,24)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,19,20,21)
InChIKeyQEYNMQONWMTHFB-UHFFFAOYSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 75433513
N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
CID 133306530
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
1-benzylsulfonyl-N-[(3,6-dimethylpyridazin-4-yl)methyl]piperidin-4-amine
CID 167943428
N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133306577
N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960
6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile
CID 133306602
N-(1-benzylsulfonylpiperidin-4-yl)-6-nitroquinolin-2-amine
CID 133306596

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine (CID 133306595) is N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is QEYNMQONWMTHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-12-15(2)20-18(19-14)21-17-8-10-22(11-9-17)25(23,24)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,19,20,21).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine?
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 360.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133306595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).