3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine

C11H19N3 — CID 172500517

IUPAC3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine
SMILESCC(C)(C)C1=CN=C2CNCCN2C1
InChIInChI=1S/C11H19N3/c1-11(2,3)9-6-13-10-7-12-4-5-14(10)8-9/h6,12H,4-5,7-8H2,1-3H3
InChIKeyOATOVCZNLUAODX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.23
Rot. Bonds

About 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine

3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine (PubChem CID 172500517) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine
PubChem CID172500517
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine
SMILESCC(C)(C)C1=CN=C2CNCCN2C1
InChIInChI=1S/C11H19N3/c1-11(2,3)9-6-13-10-7-12-4-5-14(10)8-9/h6,12H,4-5,7-8H2,1-3H3
InChIKeyOATOVCZNLUAODX-UHFFFAOYSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
CID 123148170
1-(5-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 156059049
1-(4-methyl-3H-pyrrol-2-yl)piperazine
CID 167540012

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine?
The IUPAC name of 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine (CID 172500517) is 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine?
The canonical SMILES for 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine is CC(C)(C)C1=CN=C2CNCCN2C1.
What is the InChIKey of 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine?
The InChIKey is OATOVCZNLUAODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)9-6-13-10-7-12-4-5-14(10)8-9/h6,12H,4-5,7-8H2,1-3H3.
What are the key properties of 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine?
3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine has a molecular weight of 193.29 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 172500517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).