2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride

C13H21ClN4OS — CID 119389604

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1cc(C)nc(SCC(=O)NC2CCNCC2)n1.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-9-7-10(2)16-13(15-9)19-8-12(18)17-11-3-5-14-6-4-11;/h7,11,14H,3-6,8H2,1-2H3,(H,17,18);1H
InChIKeyXSUYPBOZCOPROM-UHFFFAOYSA-N
MW316.86 g/mol
LogP1.48
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119389604) has the molecular formula C13H21ClN4OS and a molecular weight of 316.86 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119389604
Molecular FormulaC13H21ClN4OS
Molecular Weight316.86 g/mol
Exact Mass316.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1cc(C)nc(SCC(=O)NC2CCNCC2)n1.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-9-7-10(2)16-13(15-9)19-8-12(18)17-11-3-5-14-6-4-11;/h7,11,14H,3-6,8H2,1-2H3,(H,17,18);1H
InChIKeyXSUYPBOZCOPROM-UHFFFAOYSA-N
XLogP1.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120601292
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 18130863
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55428451
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
1-cyclohexyl-3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]thiourea
CID 4684324
N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 39977118
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 46554866
4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
CID 62305321
3-(3,4-dimethylphenyl)sulfanyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389031
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide
CID 119450666
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
CID 119591555

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119389604) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride is Cc1cc(C)nc(SCC(=O)NC2CCNCC2)n1.Cl.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is XSUYPBOZCOPROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS.ClH/c1-9-7-10(2)16-13(15-9)19-8-12(18)17-11-3-5-14-6-4-11;/h7,11,14H,3-6,8H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 316.86 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119389604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).