2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine

C16H22N4 — CID 80845005

IUPAC2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2ccccc2CC)n1
InChIInChI=1S/C16H22N4/c1-3-9-18-15-11-17-12-16(20-15)19-10-14-8-6-5-7-13(14)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyYGJCJLYQNPAAPV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.47
Rot. Bonds7

About 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80845005) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80845005
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2ccccc2CC)n1
InChIInChI=1S/C16H22N4/c1-3-9-18-15-11-17-12-16(20-15)19-10-14-8-6-5-7-13(14)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyYGJCJLYQNPAAPV-UHFFFAOYSA-N
XLogP3.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylphenoxy)-N-propylpyrazin-2-amine
CID 80875740
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
2-N-[[2-(ethoxymethyl)phenyl]methyl]pyrazine-2,6-diamine
CID 78988831
6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 80736801
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
N-[(2-ethylphenyl)methyl]-5-methylpyridin-2-amine
CID 64695713
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
5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 107874733
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80813147

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80845005) is 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCc2ccccc2CC)n1.
What is the InChIKey of 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is YGJCJLYQNPAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-9-18-15-11-17-12-16(20-15)19-10-14-8-6-5-7-13(14)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80845005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).