2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one

C11H17N3O — CID 83883312

IUPAC2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)CNCC2
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-6-10(15)14-5-4-12-7-9(14)13-8/h6,12H,4-5,7H2,1-3H3
InChIKeyBAJCQGZXIHGZBK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds

About 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one

2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (PubChem CID 83883312) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
PubChem CID83883312
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)CNCC2
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-6-10(15)14-5-4-12-7-9(14)13-8/h6,12H,4-5,7H2,1-3H3
InChIKeyBAJCQGZXIHGZBK-UHFFFAOYSA-N
XLogP0.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (CID 83883312) is 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is CC(C)(C)c1cc(=O)n2c(n1)CNCC2.
What is the InChIKey of 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is BAJCQGZXIHGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,3)8-6-10(15)14-5-4-12-7-9(14)13-8/h6,12H,4-5,7H2,1-3H3.
What are the key properties of 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83883312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).