2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine

C11H16N4S — CID 173241133

IUPAC2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine
SMILESC(=CN1CCNCC1)CSc1ncccn1
InChIInChI=1S/C11H16N4S/c1-3-13-11(14-4-1)16-10-2-7-15-8-5-12-6-9-15/h1-4,7,12H,5-6,8-10H2
InChIKeyYHCMEVSXTRHNGD-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.99
Rot. Bonds4

About 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine

2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine (PubChem CID 173241133) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine
PubChem CID173241133
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine
SMILESC(=CN1CCNCC1)CSc1ncccn1
InChIInChI=1S/C11H16N4S/c1-3-13-11(14-4-1)16-10-2-7-15-8-5-12-6-9-15/h1-4,7,12H,5-6,8-10H2
InChIKeyYHCMEVSXTRHNGD-UHFFFAOYSA-N
XLogP0.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine?
The IUPAC name of 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine (CID 173241133) is 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine?
The canonical SMILES for 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine is C(=CN1CCNCC1)CSc1ncccn1.
What is the InChIKey of 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine?
The InChIKey is YHCMEVSXTRHNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-13-11(14-4-1)16-10-2-7-15-8-5-12-6-9-15/h1-4,7,12H,5-6,8-10H2.
What are the key properties of 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine?
2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine has a molecular weight of 236.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylprop-2-enylsulfanyl)pyrimidine is sourced from PubChem (CID 173241133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).