2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine

C12H22N4O — CID 104766984

IUPAC2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCOC(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-14-11-8-13-9-12(16-11)15-6-7-17-10(2)3/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyRKMZHFOIPOHQAJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds8

About 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine

2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 104766984) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID104766984
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCOC(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-14-11-8-13-9-12(16-11)15-6-7-17-10(2)3/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyRKMZHFOIPOHQAJ-UHFFFAOYSA-N
XLogP2.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670
6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine
CID 78918192
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
CID 80801033

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine (CID 104766984) is 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCCOC(C)C)n1.
What is the InChIKey of 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is RKMZHFOIPOHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-14-11-8-13-9-12(16-11)15-6-7-17-10(2)3/h8-10H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 104766984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).