2-piperidin-4-ylsulfanylpyrimidine

C9H13N3S — CID 28815141

IUPAC2-piperidin-4-ylsulfanylpyrimidine
SMILESc1cnc(SC2CCNCC2)nc1
InChIInChI=1S/C9H13N3S/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
InChIKeyMGLOWCUNKUKPTL-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.32
Rot. Bonds2

About 2-piperidin-4-ylsulfanylpyrimidine

2-piperidin-4-ylsulfanylpyrimidine (PubChem CID 28815141) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanylpyrimidine
PubChem CID28815141
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-piperidin-4-ylsulfanylpyrimidine
SMILESc1cnc(SC2CCNCC2)nc1
InChIInChI=1S/C9H13N3S/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
InChIKeyMGLOWCUNKUKPTL-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanylpyrimidine?
The IUPAC name of 2-piperidin-4-ylsulfanylpyrimidine (CID 28815141) is 2-piperidin-4-ylsulfanylpyrimidine.
What is the SMILES notation for 2-piperidin-4-ylsulfanylpyrimidine?
The canonical SMILES for 2-piperidin-4-ylsulfanylpyrimidine is c1cnc(SC2CCNCC2)nc1.
What is the InChIKey of 2-piperidin-4-ylsulfanylpyrimidine?
The InChIKey is MGLOWCUNKUKPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2.
What are the key properties of 2-piperidin-4-ylsulfanylpyrimidine?
2-piperidin-4-ylsulfanylpyrimidine has a molecular weight of 195.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanylpyrimidine is sourced from PubChem (CID 28815141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).