N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine

C12H21N3O — CID 114475476

IUPACN-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
SMILESCCCCOCCNc1cnc(C)c(C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-7-16-8-6-13-12-9-14-10(2)11(3)15-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyUAJNMYMLUJYNKF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds7

About N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine

N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine (PubChem CID 114475476) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
PubChem CID114475476
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
SMILESCCCCOCCNc1cnc(C)c(C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-7-16-8-6-13-12-9-14-10(2)11(3)15-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyUAJNMYMLUJYNKF-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475636
N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
CID 114476158
2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine
CID 78918192
5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 114475378
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78988496
5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
CID 114475440
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
CID 114475372
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine (CID 114475476) is N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine is CCCCOCCNc1cnc(C)c(C)n1.
What is the InChIKey of N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine?
The InChIKey is UAJNMYMLUJYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-7-16-8-6-13-12-9-14-10(2)11(3)15-12/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine?
N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).