6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

C15H22N4O2 — CID 64901219

IUPAC6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(Cc2ncccn2)C1=O
InChIInChI=1S/C15H22N4O2/c1-14(2,3)11-12(20)18-15(4,5)13(21)19(11)9-10-16-7-6-8-17-10/h6-8,11H,9H2,1-5H3,(H,18,20)
InChIKeyKHSQDCXTMKJNND-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.13
Rot. Bonds2

About 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64901219) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64901219
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(Cc2ncccn2)C1=O
InChIInChI=1S/C15H22N4O2/c1-14(2,3)11-12(20)18-15(4,5)13(21)19(11)9-10-16-7-6-8-17-10/h6-8,11H,9H2,1-5H3,(H,18,20)
InChIKeyKHSQDCXTMKJNND-UHFFFAOYSA-N
XLogP1.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (CID 64901219) is 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is CC1(C)NC(=O)C(C(C)(C)C)N(Cc2ncccn2)C1=O.
What is the InChIKey of 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is KHSQDCXTMKJNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-14(2,3)11-12(20)18-15(4,5)13(21)19(11)9-10-16-7-6-8-17-10/h6-8,11H,9H2,1-5H3,(H,18,20).
What are the key properties of 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).