N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine

C16H19BrN4O2S — CID 133306530

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C16H19BrN4O2S/c17-14-10-18-16(19-11-14)20-15-6-8-21(9-7-15)24(22,23)12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2,(H,18,19,20)
InChIKeyUMMQQCDMOXSOEG-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.65
Rot. Bonds5

About N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine

N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine (PubChem CID 133306530) has the molecular formula C16H19BrN4O2S and a molecular weight of 411.33 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
PubChem CID133306530
Molecular FormulaC16H19BrN4O2S
Molecular Weight411.33 g/mol
Exact Mass410.04
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C16H19BrN4O2S/c17-14-10-18-16(19-11-14)20-15-6-8-21(9-7-15)24(22,23)12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2,(H,18,19,20)
InChIKeyUMMQQCDMOXSOEG-UHFFFAOYSA-N
XLogP2.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 52.65
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)-4,6-dimethylpyrimidin-2-amine
CID 133306595
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
1-benzylsulfonyl-4-(2-bromoethoxy)piperidine
CID 82701182
N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585
6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile
CID 133306602
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133306577
2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
CID 54583088
N-(1-benzylsulfonylpiperidin-4-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133306579
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
N-(1-benzylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133458287

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine (CID 133306530) is N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine is O=S(=O)(Cc1ccccc1)N1CCC(Nc2ncc(Br)cn2)CC1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine?
The InChIKey is UMMQQCDMOXSOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2S/c17-14-10-18-16(19-11-14)20-15-6-8-21(9-7-15)24(22,23)12-13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2,(H,18,19,20).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine?
N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine has a molecular weight of 411.33 g/mol, XLogP of 2.65, 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)-5-bromopyrimidin-2-amine is sourced from PubChem (CID 133306530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).