4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride

C12H20ClN3S — CID 72716663

IUPAC4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1ccnc(SCCC2CCNCC2)n1.Cl
InChIInChI=1S/C12H19N3S.ClH/c1-10-2-8-14-12(15-10)16-9-5-11-3-6-13-7-4-11;/h2,8,11,13H,3-7,9H2,1H3;1H
InChIKeySRJAQFFEIIXUJJ-UHFFFAOYSA-N
MW273.83 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride

4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride (PubChem CID 72716663) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
PubChem CID72716663
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC Name4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1ccnc(SCCC2CCNCC2)n1.Cl
InChIInChI=1S/C12H19N3S.ClH/c1-10-2-8-14-12(15-10)16-9-5-11-3-6-13-7-4-11;/h2,8,11,13H,3-7,9H2,1H3;1H
InChIKeySRJAQFFEIIXUJJ-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
4-methyl-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine
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4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
CID 166190130
2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 105061330
2-methylsulfanyl-4-(piperidin-4-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71643270
4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
CID 62305321
2-(6-chlorohexylsulfanyl)-4-methylpyrimidine
CID 62268363
N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643294
2,2-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpentanenitrile
CID 65257502
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331181
2-(cyclopropylamino)-2-methyl-6-(4-methylpyrimidin-2-yl)sulfanylhexanoic acid
CID 62268221

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride?
The IUPAC name of 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride (CID 72716663) is 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride is Cc1ccnc(SCCC2CCNCC2)n1.Cl.
What is the InChIKey of 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride?
The InChIKey is SRJAQFFEIIXUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S.ClH/c1-10-2-8-14-12(15-10)16-9-5-11-3-6-13-7-4-11;/h2,8,11,13H,3-7,9H2,1H3;1H.
What are the key properties of 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride?
4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride is sourced from PubChem (CID 72716663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).