2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine

C13H24N4O — CID 80814670

IUPAC2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(CC)C(C)COC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-15-12-8-14-9-13(16-12)17(6-2)11(3)10-18-4/h8-9,11H,5-7,10H2,1-4H3,(H,15,16)
InChIKeyMYHQTJLLKWMDJM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.16
Rot. Bonds8

About 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine

2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80814670) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80814670
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(CC)C(C)COC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-15-12-8-14-9-13(16-12)17(6-2)11(3)10-18-4/h8-9,11H,5-7,10H2,1-4H3,(H,15,16)
InChIKeyMYHQTJLLKWMDJM-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-2-N-(2-methoxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80808373
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80815004
2-N-propan-2-yl-6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80814943
[6-[ethyl(1-methoxypropan-2-yl)amino]pyrazin-2-yl]methanol
CID 66467071
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile
CID 80806836
3-[methyl-[6-(propylamino)pyrazin-2-yl]amino]butanenitrile
CID 80828763
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-N-ethyl-2-N-phenyl-6-N-propylpyrazine-2,6-diamine
CID 80756431
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
6-chloro-N-propylpyrazin-2-amine
CID 26370207

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine (CID 80814670) is 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(CC)C(C)COC)n1.
What is the InChIKey of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is MYHQTJLLKWMDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-15-12-8-14-9-13(16-12)17(6-2)11(3)10-18-4/h8-9,11H,5-7,10H2,1-4H3,(H,15,16).
What are the key properties of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine?
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80814670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).