3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

C16H22N6O2 — CID 75509072

IUPAC3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCCOc1cc(NC2CCN(c3nccn(C)c3=O)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-3-24-14-10-13(18-11-19-14)20-12-4-7-22(8-5-12)15-16(23)21(2)9-6-17-15/h6,9-12H,3-5,7-8H2,1-2H3,(H,18,19,20)
InChIKeyGQHPIJBVZBOCON-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.05
Rot. Bonds5

About 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 75509072) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID75509072
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCCOc1cc(NC2CCN(c3nccn(C)c3=O)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-3-24-14-10-13(18-11-19-14)20-12-4-7-22(8-5-12)15-16(23)21(2)9-6-17-15/h6,9-12H,3-5,7-8H2,1-2H3,(H,18,19,20)
InChIKeyGQHPIJBVZBOCON-UHFFFAOYSA-N
XLogP1.05
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 75509072) is 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is CCOc1cc(NC2CCN(c3nccn(C)c3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is GQHPIJBVZBOCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-24-14-10-13(18-11-19-14)20-12-4-7-22(8-5-12)15-16(23)21(2)9-6-17-15/h6,9-12H,3-5,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 330.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 75509072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).