2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

C16H20N6O2 — CID 25005271

IUPAC2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC(=O)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1
InChIInChI=1S/C16H20N6O2/c1-11-9-21(12(2)23)6-7-22(11)16-19-14(8-15(24)20(16)3)13-4-5-17-10-18-13/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyAABPPUNQWOHVKN-LLVKDONJSA-N
MW328.38 g/mol
LogP0.29
Rot. Bonds2

About 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25005271) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25005271
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC(=O)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1
InChIInChI=1S/C16H20N6O2/c1-11-9-21(12(2)23)6-7-22(11)16-19-14(8-15(24)20(16)3)13-4-5-17-10-18-13/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyAABPPUNQWOHVKN-LLVKDONJSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one 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 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (CID 25005271) is 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is CC(=O)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1.
What is the InChIKey of 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is AABPPUNQWOHVKN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-9-21(12(2)23)6-7-22(11)16-19-14(8-15(24)20(16)3)13-4-5-17-10-18-13/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 328.38 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25005271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).