4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine

C10H14ClN3S — CID 71438371

IUPAC4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine
SMILESCSc1nc(Cl)cc(N2CCCCC2)n1
InChIInChI=1S/C10H14ClN3S/c1-15-10-12-8(11)7-9(13-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyMBMLHMFYKRILAT-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.84
Rot. Bonds2

About 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine

4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine (PubChem CID 71438371) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine
PubChem CID71438371
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine
SMILESCSc1nc(Cl)cc(N2CCCCC2)n1
InChIInChI=1S/C10H14ClN3S/c1-15-10-12-8(11)7-9(13-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyMBMLHMFYKRILAT-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine (CID 71438371) is 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine is CSc1nc(Cl)cc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine?
The InChIKey is MBMLHMFYKRILAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-15-10-12-8(11)7-9(13-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine?
4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine has a molecular weight of 243.76 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 71438371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).