4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one

C12H20N4O — CID 135889466

IUPAC4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)9-8-10(17)15-11(14-9)16-6-4-13-5-7-16/h8,13H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyQKKRXZLKALMVHX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds1

About 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one

4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 135889466) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID135889466
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)9-8-10(17)15-11(14-9)16-6-4-13-5-7-16/h8,13H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyQKKRXZLKALMVHX-UHFFFAOYSA-N
XLogP0.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 135889466) is 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one is CC(C)(C)c1cc(=O)[nH]c(N2CCNCC2)n1.
What is the InChIKey of 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is QKKRXZLKALMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)9-8-10(17)15-11(14-9)16-6-4-13-5-7-16/h8,13H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135889466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).