3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one

C13H20N4O2 — CID 82666927

IUPAC3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one
SMILESCOc1nc(C(C)(C)C)ncc1C1NCCNC1=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)12-16-7-8(11(17-12)19-4)9-10(18)15-6-5-14-9/h7,9,14H,5-6H2,1-4H3,(H,15,18)
InChIKeyQXWYLCSKVBRVSR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.54
Rot. Bonds2

About 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one

3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one (PubChem CID 82666927) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one
PubChem CID82666927
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one
SMILESCOc1nc(C(C)(C)C)ncc1C1NCCNC1=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)12-16-7-8(11(17-12)19-4)9-10(18)15-6-5-14-9/h7,9,14H,5-6H2,1-4H3,(H,15,18)
InChIKeyQXWYLCSKVBRVSR-UHFFFAOYSA-N
XLogP0.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one?
The IUPAC name of 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one (CID 82666927) is 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one.
What is the SMILES notation for 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one?
The canonical SMILES for 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one is COc1nc(C(C)(C)C)ncc1C1NCCNC1=O.
What is the InChIKey of 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one?
The InChIKey is QXWYLCSKVBRVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)12-16-7-8(11(17-12)19-4)9-10(18)15-6-5-14-9/h7,9,14H,5-6H2,1-4H3,(H,15,18).
What are the key properties of 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one?
3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-methoxypyrimidin-5-yl)piperazin-2-one is sourced from PubChem (CID 82666927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).