1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

C16H21N7O2 — CID 56798166

IUPAC1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)CN(C)c3cnccn3)CC2)n1
InChIInChI=1S/C16H21N7O2/c1-21(13-11-17-5-6-18-13)12-15(24)22-7-9-23(10-8-22)16-19-4-3-14(20-16)25-2/h3-6,11H,7-10,12H2,1-2H3
InChIKeyQTOWYCLUEQEHMK-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.06
Rot. Bonds5

About 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (PubChem CID 56798166) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
PubChem CID56798166
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)CN(C)c3cnccn3)CC2)n1
InChIInChI=1S/C16H21N7O2/c1-21(13-11-17-5-6-18-13)12-15(24)22-7-9-23(10-8-22)16-19-4-3-14(20-16)25-2/h3-6,11H,7-10,12H2,1-2H3
InChIKeyQTOWYCLUEQEHMK-UHFFFAOYSA-N
XLogP0.06
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone 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 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (CID 56798166) is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The canonical SMILES for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is COc1ccnc(N2CCN(C(=O)CN(C)c3cnccn3)CC2)n1.
What is the InChIKey of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The InChIKey is QTOWYCLUEQEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-21(13-11-17-5-6-18-13)12-15(24)22-7-9-23(10-8-22)16-19-4-3-14(20-16)25-2/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone has a molecular weight of 343.39 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is sourced from PubChem (CID 56798166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).