2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine

C26H36N6 — CID 58250604

IUPAC2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine
SMILESCCCCCCc1nc(-c2ncc(C)cn2)c(CCCCCC)nc1-c1ncc(C)cn1
InChIInChI=1S/C26H36N6/c1-5-7-9-11-13-21-23(25-27-15-19(3)16-28-25)32-22(14-12-10-8-6-2)24(31-21)26-29-17-20(4)18-30-26/h15-18H,5-14H2,1-4H3
InChIKeyBZAVRVKAPFYSMY-UHFFFAOYSA-N
MW432.62 g/mol
LogP6.25
Rot. Bonds12

About 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine

2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine (PubChem CID 58250604) has the molecular formula C26H36N6 and a molecular weight of 432.62 g/mol. Its IUPAC name is 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine.

Molecular Properties

Compound Name2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine
PubChem CID58250604
Molecular FormulaC26H36N6
Molecular Weight432.62 g/mol
Exact Mass432.30
IUPAC Name2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine
SMILESCCCCCCc1nc(-c2ncc(C)cn2)c(CCCCCC)nc1-c1ncc(C)cn1
InChIInChI=1S/C26H36N6/c1-5-7-9-11-13-21-23(25-27-15-19(3)16-28-25)32-22(14-12-10-8-6-2)24(31-21)26-29-17-20(4)18-30-26/h15-18H,5-14H2,1-4H3
InChIKeyBZAVRVKAPFYSMY-UHFFFAOYSA-N
XLogP6.25
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.62
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine?
The IUPAC name of 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine (CID 58250604) is 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine.
What is the SMILES notation for 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine?
The canonical SMILES for 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine is CCCCCCc1nc(-c2ncc(C)cn2)c(CCCCCC)nc1-c1ncc(C)cn1.
What is the InChIKey of 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine?
The InChIKey is BZAVRVKAPFYSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6/c1-5-7-9-11-13-21-23(25-27-15-19(3)16-28-25)32-22(14-12-10-8-6-2)24(31-21)26-29-17-20(4)18-30-26/h15-18H,5-14H2,1-4H3.
What are the key properties of 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine?
2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine has a molecular weight of 432.62 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine is sourced from PubChem (CID 58250604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).