N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

C19H23BrN4OS — CID 50928697

IUPACN-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCCC1CCCCN1c1cc(SCC(=O)Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C19H23BrN4OS/c1-2-16-5-3-4-10-24(16)17-11-19(22-13-21-17)26-12-18(25)23-15-8-6-14(20)7-9-15/h6-9,11,13,16H,2-5,10,12H2,1H3,(H,23,25)
InChIKeyYNKXAZAQLAZAHY-UHFFFAOYSA-N
MW435.39 g/mol
LogP4.74
Rot. Bonds6

About N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (PubChem CID 50928697) has the molecular formula C19H23BrN4OS and a molecular weight of 435.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
PubChem CID50928697
Molecular FormulaC19H23BrN4OS
Molecular Weight435.39 g/mol
Exact Mass434.08
IUPAC NameN-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCCC1CCCCN1c1cc(SCC(=O)Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C19H23BrN4OS/c1-2-16-5-3-4-10-24(16)17-11-19(22-13-21-17)26-12-18(25)23-15-8-6-14(20)7-9-15/h6-9,11,13,16H,2-5,10,12H2,1H3,(H,23,25)
InChIKeyYNKXAZAQLAZAHY-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 53136807
N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50928699
N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093333
N-(3-chloro-4-fluorophenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093369
N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899128
N-(4-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136600
N-(2-chloro-4-fluorophenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093364
N-(2-chloro-4-fluorophenyl)-2-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136701
N-cyclopentyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109341455
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(2-ethylpiperidin-1-yl)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339691
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354878

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (CID 50928697) is N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is CCC1CCCCN1c1cc(SCC(=O)Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is YNKXAZAQLAZAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4OS/c1-2-16-5-3-4-10-24(16)17-11-19(22-13-21-17)26-12-18(25)23-15-8-6-14(20)7-9-15/h6-9,11,13,16H,2-5,10,12H2,1H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 435.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 50928697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).