4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride

C10H15Cl2N3OS — CID 71643210

IUPAC4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride
SMILESCSc1nc(Cl)cc(OC2CCNCC2)n1.Cl
InChIInChI=1S/C10H14ClN3OS.ClH/c1-16-10-13-8(11)6-9(14-10)15-7-2-4-12-5-3-7;/h6-7,12H,2-5H2,1H3;1H
InChIKeySSXFGMRWQBNGFZ-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.40
Rot. Bonds3

About 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride

4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride (PubChem CID 71643210) has the molecular formula C10H15Cl2N3OS and a molecular weight of 296.22 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride
PubChem CID71643210
Molecular FormulaC10H15Cl2N3OS
Molecular Weight296.22 g/mol
Exact Mass295.03
IUPAC Name4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride
SMILESCSc1nc(Cl)cc(OC2CCNCC2)n1.Cl
InChIInChI=1S/C10H14ClN3OS.ClH/c1-16-10-13-8(11)6-9(14-10)15-7-2-4-12-5-3-7;/h6-7,12H,2-5H2,1H3;1H
InChIKeySSXFGMRWQBNGFZ-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride (CID 71643210) is 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride is CSc1nc(Cl)cc(OC2CCNCC2)n1.Cl.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride?
The InChIKey is SSXFGMRWQBNGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS.ClH/c1-16-10-13-8(11)6-9(14-10)15-7-2-4-12-5-3-7;/h6-7,12H,2-5H2,1H3;1H.
What are the key properties of 4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride?
4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride has a molecular weight of 296.22 g/mol, XLogP of 2.40, 3 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-4-yloxypyrimidine;hydrochloride is sourced from PubChem (CID 71643210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).