3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine

C11H20N4O — CID 133475780

IUPAC3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
SMILESCC(C)OCCNc1nccnc1N(C)C
InChIInChI=1S/C11H20N4O/c1-9(2)16-8-7-13-10-11(15(3)4)14-6-5-12-10/h5-6,9H,7-8H2,1-4H3,(H,12,13)
InChIKeyLCCFXQGNNVRYOZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.38
Rot. Bonds6

About 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine

3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine (PubChem CID 133475780) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
PubChem CID133475780
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
SMILESCC(C)OCCNc1nccnc1N(C)C
InChIInChI=1S/C11H20N4O/c1-9(2)16-8-7-13-10-11(15(3)4)14-6-5-12-10/h5-6,9H,7-8H2,1-4H3,(H,12,13)
InChIKeyLCCFXQGNNVRYOZ-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine (CID 133475780) is 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine is CC(C)OCCNc1nccnc1N(C)C.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine?
The InChIKey is LCCFXQGNNVRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)16-8-7-13-10-11(15(3)4)14-6-5-12-10/h5-6,9H,7-8H2,1-4H3,(H,12,13).
What are the key properties of 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine?
3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 133475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).