2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one

C11H21N3O — CID 121450235

IUPAC2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCC(C)(C)N1CCN2C(=O)NCCC2C1
InChIInChI=1S/C11H21N3O/c1-11(2,3)13-6-7-14-9(8-13)4-5-12-10(14)15/h9H,4-8H2,1-3H3,(H,12,15)
InChIKeyXRBJYPDAFKYQFC-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds

About 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one

2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (PubChem CID 121450235) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
PubChem CID121450235
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCC(C)(C)N1CCN2C(=O)NCCC2C1
InChIInChI=1S/C11H21N3O/c1-11(2,3)13-6-7-14-9(8-13)4-5-12-10(14)15/h9H,4-8H2,1-3H3,(H,12,15)
InChIKeyXRBJYPDAFKYQFC-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

7-Ethyloctahydro-2-methyl-6H-pyrazino(1,2-c)pyrimidin-6-one
CID 160000
tert-butyl 6-oxo-octahydro-1H-pyrimido(1,6-a)piperazine-2-carboxylate
CID 131036700
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 124873320
Hexahydro-1H-pyrazino[1,2-c]pyrimidin-6(2H)-one
CID 11040917
2-Methyloctahydro-6H-pyrazino[1,2-c]pyrimidin-6-one
CID 15152398
2-Butyl-7-ethyloctahydro-6h-pyrazino[1,2-c]pyrimidin-6-one
CID 287793
8-methyl-N-(1,1,3,3-tetramethylbutyl)octahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 50955756
6H-Pyrazino[1,2-c]pyrimidin-6-one, 7-ethyloctahydro-
CID 10856159
N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 14571193
N-methyl-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 16795792
7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 18685005

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (CID 121450235) is 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is CC(C)(C)N1CCN2C(=O)NCCC2C1.
What is the InChIKey of 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The InChIKey is XRBJYPDAFKYQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,3)13-6-7-14-9(8-13)4-5-12-10(14)15/h9H,4-8H2,1-3H3,(H,12,15).
What are the key properties of 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one has a molecular weight of 211.31 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 121450235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).