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

C11H17N3O2 — CID 172500581

IUPAC3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1c(O)nc2n(c1=O)CCNC2
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-9(15)13-7-6-12-4-5-14(7)10(8)16/h12,15H,4-6H2,1-3H3
InChIKeyCYSOPYSYVPBZIK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.35
Rot. Bonds

About 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one

3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (PubChem CID 172500581) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
PubChem CID172500581
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1c(O)nc2n(c1=O)CCNC2
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-9(15)13-7-6-12-4-5-14(7)10(8)16/h12,15H,4-6H2,1-3H3
InChIKeyCYSOPYSYVPBZIK-UHFFFAOYSA-N
XLogP0.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (CID 172500581) is 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is CC(C)(C)c1c(O)nc2n(c1=O)CCNC2.
What is the InChIKey of 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is CYSOPYSYVPBZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)8-9(15)13-7-6-12-4-5-14(7)10(8)16/h12,15H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 172500581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).