4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride

C11H17Cl2N3OS — CID 71643214

IUPAC4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride
SMILESCSc1nc(Cl)cc(OCC2CCCNC2)n1.Cl
InChIInChI=1S/C11H16ClN3OS.ClH/c1-17-11-14-9(12)5-10(15-11)16-7-8-3-2-4-13-6-8;/h5,8,13H,2-4,6-7H2,1H3;1H
InChIKeyZJFUOHRPSNLTOD-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride

4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride (PubChem CID 71643214) has the molecular formula C11H17Cl2N3OS and a molecular weight of 310.25 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride
PubChem CID71643214
Molecular FormulaC11H17Cl2N3OS
Molecular Weight310.25 g/mol
Exact Mass309.05
IUPAC Name4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride
SMILESCSc1nc(Cl)cc(OCC2CCCNC2)n1.Cl
InChIInChI=1S/C11H16ClN3OS.ClH/c1-17-11-14-9(12)5-10(15-11)16-7-8-3-2-4-13-6-8;/h5,8,13H,2-4,6-7H2,1H3;1H
InChIKeyZJFUOHRPSNLTOD-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643212
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride
CID 71643354
4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
CID 80544680
4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride
CID 71643210
6-chloro-2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643194
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride
CID 175131076
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
4-chloro-2-methylsulfanyl-6-(3,3,3-trifluoropropoxy)pyrimidine
CID 82955064
5-bromo-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
CID 71303667

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride (CID 71643214) is 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride is CSc1nc(Cl)cc(OCC2CCCNC2)n1.Cl.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride?
The InChIKey is ZJFUOHRPSNLTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS.ClH/c1-17-11-14-9(12)5-10(15-11)16-7-8-3-2-4-13-6-8;/h5,8,13H,2-4,6-7H2,1H3;1H.
What are the key properties of 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride?
4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride has a molecular weight of 310.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride is sourced from PubChem (CID 71643214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).