2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

C12H14N6 — CID 3228611

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESc1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2
InChIKeyCGDIIYVMINKXRL-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.59
Rot. Bonds2

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 3228611) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID3228611
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESc1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2
InChIKeyCGDIIYVMINKXRL-UHFFFAOYSA-N
XLogP0.59
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (CID 3228611) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is c1cnc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is CGDIIYVMINKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 242.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3228611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).