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

C11H17Cl2N3OS — CID 71643212

IUPAC4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
SMILESCSc1nc(Cl)cc(OCC2CCCCN2)n1.Cl
InChIInChI=1S/C11H16ClN3OS.ClH/c1-17-11-14-9(12)6-10(15-11)16-7-8-4-2-3-5-13-8;/h6,8,13H,2-5,7H2,1H3;1H
InChIKeyLLTHUFGSASCBMZ-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.79
Rot. Bonds4

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

4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride (PubChem CID 71643212) has the molecular formula C11H17Cl2N3OS and a molecular weight of 310.25 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
PubChem CID71643212
Molecular FormulaC11H17Cl2N3OS
Molecular Weight310.25 g/mol
Exact Mass309.05
IUPAC Name4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
SMILESCSc1nc(Cl)cc(OCC2CCCCN2)n1.Cl
InChIInChI=1S/C11H16ClN3OS.ClH/c1-17-11-14-9(12)6-10(15-11)16-7-8-4-2-3-5-13-8;/h6,8,13H,2-5,7H2,1H3;1H
InChIKeyLLTHUFGSASCBMZ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine
CID 80544505
2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
CID 97162856
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643190
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride
CID 71643210
2,4-dimethyl-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 62348060
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736
5-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609
4-chloro-2-methylsulfanyl-6-(3,3,3-trifluoropropoxy)pyrimidine
CID 82955064
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride (CID 71643212) is 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride is CSc1nc(Cl)cc(OCC2CCCCN2)n1.Cl.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride?
The InChIKey is LLTHUFGSASCBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS.ClH/c1-17-11-14-9(12)6-10(15-11)16-7-8-4-2-3-5-13-8;/h6,8,13H,2-5,7H2,1H3;1H.
What are the key properties of 4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride?
4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride has a molecular weight of 310.25 g/mol, XLogP of 2.79, 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-2-ylmethoxy)pyrimidine;hydrochloride is sourced from PubChem (CID 71643212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).