4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride

C13H22ClN3S — CID 72716590

IUPAC4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(SCCC2CCCCN2)n1.Cl
InChIInChI=1S/C13H21N3S.ClH/c1-10-9-11(2)16-13(15-10)17-8-6-12-5-3-4-7-14-12;/h9,12,14H,3-8H2,1-2H3;1H
InChIKeyPLJFYCYBBNFUFR-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.14
Rot. Bonds4

About 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride

4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride (PubChem CID 72716590) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
PubChem CID72716590
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC Name4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(SCCC2CCCCN2)n1.Cl
InChIInChI=1S/C13H21N3S.ClH/c1-10-9-11(2)16-13(15-10)17-8-6-12-5-3-4-7-14-12;/h9,12,14H,3-8H2,1-2H3;1H
InChIKeyPLJFYCYBBNFUFR-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-(3-pyrrolidin-2-ylpropylsulfanyl)pyrimidine
CID 62480857
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
CID 55126511
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63460492
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine
CID 62580286
2-(2-phenylsulfanylethyl)azepane
CID 79223210
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride (CID 72716590) is 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride is Cc1cc(C)nc(SCCC2CCCCN2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride?
The InChIKey is PLJFYCYBBNFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S.ClH/c1-10-9-11(2)16-13(15-10)17-8-6-12-5-3-4-7-14-12;/h9,12,14H,3-8H2,1-2H3;1H.
What are the key properties of 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride?
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride has a molecular weight of 287.86 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride is sourced from PubChem (CID 72716590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).