5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride

C10H15Cl2N3S — CID 71640185

IUPAC5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCl.Clc1cnc(SCC2CCCNC2)nc1
InChIInChI=1S/C10H14ClN3S.ClH/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8;/h5-6,8,12H,1-4,7H2;1H
InChIKeySVDCEFOBOSXKLU-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.64
Rot. Bonds3

About 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride

5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride (PubChem CID 71640185) has the molecular formula C10H15Cl2N3S and a molecular weight of 280.22 g/mol. Its IUPAC name is 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
PubChem CID71640185
Molecular FormulaC10H15Cl2N3S
Molecular Weight280.22 g/mol
Exact Mass279.04
IUPAC Name5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCl.Clc1cnc(SCC2CCCNC2)nc1
InChIInChI=1S/C10H14ClN3S.ClH/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8;/h5-6,8,12H,1-4,7H2;1H
InChIKeySVDCEFOBOSXKLU-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97162667
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
CID 71640119
3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine
CID 97163686
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178445
3-(methylsulfanylmethyl)piperidine
CID 22276228
2-(piperidin-3-ylmethylsulfanyl)-1H-benzimidazole;hydrochloride
CID 71637072

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
The IUPAC name of 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride (CID 71640185) is 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride.
What is the SMILES notation for 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
The canonical SMILES for 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride is Cl.Clc1cnc(SCC2CCCNC2)nc1.
What is the InChIKey of 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
The InChIKey is SVDCEFOBOSXKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S.ClH/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8;/h5-6,8,12H,1-4,7H2;1H.
What are the key properties of 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride?
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride has a molecular weight of 280.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride is sourced from PubChem (CID 71640185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).