5-(4-butylphenyl)-6-methylpyrazin-2-amine

C15H19N3 — CID 20567040

IUPAC5-(4-butylphenyl)-6-methylpyrazin-2-amine
SMILESCCCCc1ccc(-c2ncc(N)nc2C)cc1
InChIInChI=1S/C15H19N3/c1-3-4-5-12-6-8-13(9-7-12)15-11(2)18-14(16)10-17-15/h6-10H,3-5H2,1-2H3,(H2,16,18)
InChIKeyBSKAKRUDOLYXOG-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.38
Rot. Bonds4

About 5-(4-butylphenyl)-6-methylpyrazin-2-amine

5-(4-butylphenyl)-6-methylpyrazin-2-amine (PubChem CID 20567040) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(4-butylphenyl)-6-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(4-butylphenyl)-6-methylpyrazin-2-amine
PubChem CID20567040
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(4-butylphenyl)-6-methylpyrazin-2-amine
SMILESCCCCc1ccc(-c2ncc(N)nc2C)cc1
InChIInChI=1S/C15H19N3/c1-3-4-5-12-6-8-13(9-7-12)15-11(2)18-14(16)10-17-15/h6-10H,3-5H2,1-2H3,(H2,16,18)
InChIKeyBSKAKRUDOLYXOG-UHFFFAOYSA-N
XLogP3.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylphenyl)pyrimidin-5-amine
CID 82288047
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
5-methyl-6-(4-propylphenyl)pyridin-3-amine
CID 114049639
4-(4-butylphenyl)-2-methylpyridine
CID 154955904
2-(4-hexylphenyl)-4-methylpyrimidin-5-ol
CID 57239148
2,4-bis(4,5-dimethylpyrimidin-2-yl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 118119388
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
5-(4-butylphenoxy)pyrazin-2-amine
CID 113322810
6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 96668145
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-6-methylpyrazin-2-amine?
The IUPAC name of 5-(4-butylphenyl)-6-methylpyrazin-2-amine (CID 20567040) is 5-(4-butylphenyl)-6-methylpyrazin-2-amine.
What is the SMILES notation for 5-(4-butylphenyl)-6-methylpyrazin-2-amine?
The canonical SMILES for 5-(4-butylphenyl)-6-methylpyrazin-2-amine is CCCCc1ccc(-c2ncc(N)nc2C)cc1.
What is the InChIKey of 5-(4-butylphenyl)-6-methylpyrazin-2-amine?
The InChIKey is BSKAKRUDOLYXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-4-5-12-6-8-13(9-7-12)15-11(2)18-14(16)10-17-15/h6-10H,3-5H2,1-2H3,(H2,16,18).
What are the key properties of 5-(4-butylphenyl)-6-methylpyrazin-2-amine?
5-(4-butylphenyl)-6-methylpyrazin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-6-methylpyrazin-2-amine is sourced from PubChem (CID 20567040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).