4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

C13H16N6O — CID 39760899

IUPAC4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(N2CCN(c3cnccn3)CC2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-13-8-11(16-10-17-13)18-4-6-19(7-5-18)12-9-14-2-3-15-12/h2-3,8-10H,4-7H2,1H3
InChIKeyQCZJFIXZYHZOJV-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.60
Rot. Bonds3

About 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 39760899) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID39760899
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(N2CCN(c3cnccn3)CC2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-13-8-11(16-10-17-13)18-4-6-19(7-5-18)12-9-14-2-3-15-12/h2-3,8-10H,4-7H2,1H3
InChIKeyQCZJFIXZYHZOJV-UHFFFAOYSA-N
XLogP0.60
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (CID 39760899) is 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is COc1cc(N2CCN(c3cnccn3)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is QCZJFIXZYHZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-20-13-8-11(16-10-17-13)18-4-6-19(7-5-18)12-9-14-2-3-15-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 272.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 39760899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).