3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione

C15H22N4O2 — CID 64967667

IUPAC3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione
SMILESCc1nccc(CN2C(=O)C(C(C)(C)C)NC(=O)C2C)n1
InChIInChI=1S/C15H22N4O2/c1-9-13(20)18-12(15(3,4)5)14(21)19(9)8-11-6-7-16-10(2)17-11/h6-7,9,12H,8H2,1-5H3,(H,18,20)
InChIKeyWEDYVWVPZPAVHR-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.05
Rot. Bonds2

About 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione

3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64967667) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione
PubChem CID64967667
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione
SMILESCc1nccc(CN2C(=O)C(C(C)(C)C)NC(=O)C2C)n1
InChIInChI=1S/C15H22N4O2/c1-9-13(20)18-12(15(3,4)5)14(21)19(9)8-11-6-7-16-10(2)17-11/h6-7,9,12H,8H2,1-5H3,(H,18,20)
InChIKeyWEDYVWVPZPAVHR-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione (CID 64967667) is 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione is Cc1nccc(CN2C(=O)C(C(C)(C)C)NC(=O)C2C)n1.
What is the InChIKey of 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is WEDYVWVPZPAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9-13(20)18-12(15(3,4)5)14(21)19(9)8-11-6-7-16-10(2)17-11/h6-7,9,12H,8H2,1-5H3,(H,18,20).
What are the key properties of 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64967667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).