2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine

C13H22N4 — CID 113479503

IUPAC2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCC2CCC2)n1
InChIInChI=1S/C13H22N4/c1-2-7-15-12-9-14-10-13(17-12)16-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3,(H2,15,16,17)
InChIKeyYZJJOYGCZUZQOW-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.90
Rot. Bonds7

About 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine

2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 113479503) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID113479503
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCC2CCC2)n1
InChIInChI=1S/C13H22N4/c1-2-7-15-12-9-14-10-13(17-12)16-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3,(H2,15,16,17)
InChIKeyYZJJOYGCZUZQOW-UHFFFAOYSA-N
XLogP2.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)pyrazin-2-amine
CID 43215345
N2-cyclobutyl-N2-methylpyrazine-2,5-diamine
CID 116356878
N-cyclobutylpyrazin-2-amine
CID 21927711
Cyclohexyl-N,N-di(2-pyrazinyl)methanediamine
CID 340132
6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine
CID 125446780
2-[(3S)-3-propylpiperazin-1-yl]pyrazine
CID 129560902
2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine
CID 164639580
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]pyrazin-2-amine
CID 124107544
N-[(3,3-difluoropiperidin-4-yl)methyl]pyrazin-2-amine
CID 140878873
4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine
CID 155222927
1-N-(5-fluoropyrazin-2-yl)-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 155223104
3-piperazin-1-yl-N-[4-(trifluoromethyl)-2-bicyclo[1.1.1]pentanyl]pyrazin-2-amine
CID 172634894

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine (CID 113479503) is 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCCC2CCC2)n1.
What is the InChIKey of 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is YZJJOYGCZUZQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-7-15-12-9-14-10-13(17-12)16-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 113479503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).