2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine

C14H18N6S — CID 141438688

IUPAC2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine
SMILESc1cnc(SCCN2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C14H18N6S/c1-3-15-13(16-4-1)20-9-7-19(8-10-20)11-12-21-14-17-5-2-6-18-14/h1-6H,7-12H2
InChIKeyJZAUILUJWCDWTC-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine

2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine (PubChem CID 141438688) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine
PubChem CID141438688
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine
SMILESc1cnc(SCCN2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C14H18N6S/c1-3-15-13(16-4-1)20-9-7-19(8-10-20)11-12-21-14-17-5-2-6-18-14/h1-6H,7-12H2
InChIKeyJZAUILUJWCDWTC-UHFFFAOYSA-N
XLogP1.18
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine?
The IUPAC name of 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine (CID 141438688) is 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine.
What is the SMILES notation for 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine?
The canonical SMILES for 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine is c1cnc(SCCN2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine?
The InChIKey is JZAUILUJWCDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-3-15-13(16-4-1)20-9-7-19(8-10-20)11-12-21-14-17-5-2-6-18-14/h1-6H,7-12H2.
What are the key properties of 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine?
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine has a molecular weight of 302.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine is sourced from PubChem (CID 141438688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).