4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride

C9H13Cl2N3S — CID 71640713

IUPAC4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride
SMILESCl.Clc1cc(SC2CCCNC2)ncn1
InChIInChI=1S/C9H12ClN3S.ClH/c10-8-4-9(13-6-12-8)14-7-2-1-3-11-5-7;/h4,6-7,11H,1-3,5H2;1H
InChIKeyXKLSWSFIFVMOCY-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.40
Rot. Bonds2

About 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride

4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride (PubChem CID 71640713) has the molecular formula C9H13Cl2N3S and a molecular weight of 266.20 g/mol. Its IUPAC name is 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride
PubChem CID71640713
Molecular FormulaC9H13Cl2N3S
Molecular Weight266.20 g/mol
Exact Mass265.02
IUPAC Name4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride
SMILESCl.Clc1cc(SC2CCCNC2)ncn1
InChIInChI=1S/C9H12ClN3S.ClH/c10-8-4-9(13-6-12-8)14-7-2-1-3-11-5-7;/h4,6-7,11H,1-3,5H2;1H
InChIKeyXKLSWSFIFVMOCY-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
The IUPAC name of 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride (CID 71640713) is 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride is Cl.Clc1cc(SC2CCCNC2)ncn1.
What is the InChIKey of 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
The InChIKey is XKLSWSFIFVMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S.ClH/c10-8-4-9(13-6-12-8)14-7-2-1-3-11-5-7;/h4,6-7,11H,1-3,5H2;1H.
What are the key properties of 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride?
4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride has a molecular weight of 266.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride is sourced from PubChem (CID 71640713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).